Cas no 16078-71-0 (Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate)
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate is a versatile pyrazole derivative widely used as a key intermediate in organic synthesis and pharmaceutical research. Its structure features both an ester group and an amino group, enabling diverse functionalization for the development of heterocyclic compounds. This compound exhibits high reactivity in nucleophilic substitution and condensation reactions, making it valuable for constructing pharmacologically active molecules, particularly in the synthesis of agrochemicals and medicinal agents. Its crystalline form ensures consistent purity and stability, facilitating precise experimental reproducibility. The phenyl and pyrazole moieties contribute to its utility in designing compounds with potential biological activity, underscoring its importance in drug discovery and fine chemical applications.
16078-71-0 structure
Product Name:Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CAS No:16078-71-0
MF:C12H13N3O2
MW:231.250522375107
MDL:MFCD00020731
CID:50316
PubChem ID:85270
Update Time:2025-06-09
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
- 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
- 5-amino-1-phenyl-1h-pyrazole-4-carboxylicaciethylester
- AKOS B000506
- AKOS 231-01
- AKOS NCG-0076
- 3-AMINO-4-CARBETHOXY-2-PHENYLPYRAZOLE
- Ethyl 5-Amino-1-phenylpyrazole-4-carboxylate
- 5-Amino-4-carbethoxy-1-phenylpyrazole
- Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate
- 5-Amino-1-phenylpyrazole-4-carboxylic Acid Ethyl Ester
- 5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
- AYJIUOZKKTUKKD-UHFFFAOYSA-N
- Ethyl 3-amino-2-phenylpyrazole-4-carboxylate
- 5-amino-1-phenylpyrazole-4-carboxylic acid ethyl e
- BB 0219111
- CHEMBL1418139
- SMR000137110
- NSC 75788
- SB75111
- SCHEMBL1143334
- Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate, 98%
- NSC-221275
- W11043
- Z55410367
- MFCD00020731
- ethyl 5-amino-1-phenyl-pyrazole-4-carboxylate
- SR-01000390054
- NSC221275
- 5-Amino-4-carboethoxy-1-phenylpyrazole
- AKOS000260234
- SY057046
- ChemDiv2_003253
- EN300-16356
- 5-amino-1-phenyl-1H-pyrazole-4-carboxilic acid ethyl ester
- F0406-3639
- Maybridge1_006278
- J-009753
- DTXSID5073406
- HMS1378D19
- NSC 221275
- NCGC00245722-01
- SR-01000390054-1
- 5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid, ethyl ester
- MLS000532169
- NS00025237
- UPCMLD0ENAT5241793:001
- J-521095
- NSC75788
- CS-W022698
- 1134606-69-1
- FT-0619965
- TA5PP5LH2V
- E1258
- Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate #
- Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
- EINECS 240-224-8
- AMY11954
- HMS2491A10
- AC-11878
- CCG-15138
- NCIOpen2_004063
- 7N-528S
- 5-Amino-4-ethoxycarbonyl-1-phenylpyrazole
- 16078-71-0
- BP-11874
- NSC-75788
- HMS559F08
- DB-012066
- ALBB-019861
- BBL007922
- DB-180877
- STK299271
-
- MDL： MFCD00020731
- Inchi： 1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
- InChI Key： AYJIUOZKKTUKKD-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=NN(C2C=CC=CC=2)C=1N)=O
- BRN： 211079
Computed Properties
- Exact Mass: 231.10100
- Monoisotopic Mass: 231.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.1
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: 2.3
Experimental Properties
- Color/Form: Not determined
- Density: 1.1818 (rough estimate)
- Melting Point: 98.0 to 102.0 deg-C
- Boiling Point: 385.1°C at 760 mmHg
- Flash Point: 186.7°C
- Refractive Index: 1.5290 (estimate)
- Solubility: methanol: soluble25mg/mL, clear, colorless
- PSA: 70.14000
- LogP: 2.21240
- Solubility: Not determined
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H315;H319;H335
- Warning Statement： P261;P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S37/39
- RTECS：UQ6392025
-
Hazardous Material Identification：
- Safety Term：S26;S36/37/39
- Risk Phrases：R22; R36/37/38
- Storage Condition：Keep in dark place,Inert atmosphere,2-8°C
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate Customs Data
- HS CODE：2933199090
- Customs Data：
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A165288-100g |
5-Amino-4-carbethoxy-1-phenylpyrazole |
16078-71-0 | ≥98% | 100g |
￥3,999.00 | 2021-05-21 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A165288-1g |
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | ≥98% | 1g |
￥30.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A165288-250mg |
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | ≥98% | 250mg |
￥29.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A165288-25g |
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | ≥98% | 25g |
￥464.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A165288-500g |
5-Amino-4-carbethoxy-1-phenylpyrazole |
16078-71-0 | ≥98% | 500g |
￥9,999.00 | 2021-05-21 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A165288-5g |
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | ≥98% | 5g |
￥116.90 | 2023-09-04 | |
| Chemenu | CM188572-10g |
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | 95+% | 10g |
$82 | 2021-08-05 | |
| Chemenu | CM188572-25g |
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | 95+% | 25g |
$145 | 2021-08-05 | |
| TRC | E899203-250mg |
Ethyl 5-Amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | 250mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E899203-500mg |
Ethyl 5-Amino-1-phenyl-1H-pyrazole-4-carboxylate |
16078-71-0 | 500mg |
$ 65.00 | 2022-06-05 |
Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate Related Literature
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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