Cas no 39846-84-9 (ethyl 3-nitro-1H-pyrazole-5-carboxylate)
Ethyl 3-nitro-1H-pyrazole-5-carboxylate is a nitro-substituted pyrazole derivative with significant utility in organic synthesis and pharmaceutical research. Its structure features an ester group at the 5-position and a nitro group at the 3-position, making it a versatile intermediate for heterocyclic chemistry. The compound is particularly valuable in the preparation of biologically active molecules, including agrochemicals and medicinal compounds, due to its reactivity in nucleophilic substitution and cyclization reactions. Its crystalline solid form and moderate stability under standard conditions facilitate handling and storage. Researchers favor this compound for its consistent purity and reliable performance in synthetic applications.
39846-84-9 structure
Product Name:ethyl 3-nitro-1H-pyrazole-5-carboxylate
CAS No:39846-84-9
MF:C6H7N3O4
MW:185.137480974197
MDL:MFCD04971172
CID:822738
PubChem ID:86222906
Update Time:2025-08-10
ethyl 3-nitro-1H-pyrazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-nitro-1H-pyrazole-3-carboxylate
- 5-nitro-1H-Pyrazole-3-carboxylic acid ethyl ester
- 5-Nitro-3-pyrazoleca
- 5-Nitro-3-pyrazolecarboxylic Acid Ethyl Ester
- ethyl 3-nitro-1H-pyrazole-5-carboxylate
- ethyl 5-nitropyrazole-3-carboxylate
- 5-nitro-1 h-pyrazole-3-carboxylic acid ethyl ester
- 1H-Pyrazole-3-carboxylic acid, 5-nitro-, ethyl ester
- Oprea1_758241
- KSC581S8P
- 3-nitro-5-ethoxycarbonylpyrazole
- SNZZJCBTYCCHNG-UHFFFAOYSA-N
- ethyl 5-nitropyrazol-3-carboxylate
- BCP22879
- K
- 5-Nitro-1 H -pyrazole-3-carboxylic acid ethyl ester
- SCHEMBL3827239
- EN300-229940
- SR-01000494638
- ethyl 5-nitro-2H-pyrazole-3-carboxylate
- SCHEMBL17796561
- AKOS000311411
- STK313032
- CS-W003205
- W16676
- DTXSID70361574
- CCG-112122
- DD-0733
- 39846-84-9
- BBL039127
- 321742-18-1
- AG-687/08088036
- SR-01000494638-1
- SY029789
- DA-16773
- AKOS001672356
- MFCD04971172
- Ethyl 5-nitro-3-pyrazolecarboxylate
- J-521150
-
- MDL： MFCD04971172
- Inchi： 1S/C6H7N3O4/c1-2-13-6(10)4-3-5(8-7-4)9(11)12/h3H,2H2,1H3,(H,7,8)
- InChI Key： SNZZJCBTYCCHNG-UHFFFAOYSA-N
- SMILES： O(C(C1C=C([N+](=O)[O-])NN=1)=O)CC
Computed Properties
- Exact Mass: 185.04400
- Monoisotopic Mass: 185.04365571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 214
- 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: 101
- XLogP3: 0.9
Experimental Properties
- Density: 1.455±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 155 oC (chloroform )
- Solubility: Very slightly soluble (0.61 g/l) (25 o C),
- PSA: 100.80000
- LogP: 1.01780
ethyl 3-nitro-1H-pyrazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | E846831-1g |
Ethyl 5-nitro-1H-pyrazole-3-carboxylate |
39846-84-9 | 98% | 1g |
358.20 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GC122-50mg |
ethyl 3-nitro-1H-pyrazole-5-carboxylate |
39846-84-9 | 98% | 50mg |
70.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GC122-1g |
ethyl 3-nitro-1H-pyrazole-5-carboxylate |
39846-84-9 | 98% | 1g |
417.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GC122-250mg |
ethyl 3-nitro-1H-pyrazole-5-carboxylate |
39846-84-9 | 98% | 250mg |
274CNY | 2021-05-08 | |
| Chemenu | CM188656-1g |
Ethyl 5-nitro-1H-pyrazole-3-carboxylate |
39846-84-9 | 95+% | 1g |
$93 | 2021-08-05 | |
| Chemenu | CM188656-5g |
Ethyl 5-nitro-1H-pyrazole-3-carboxylate |
39846-84-9 | 95+% | 5g |
$281 | 2021-08-05 | |
| Chemenu | CM188656-10g |
Ethyl 5-nitro-1H-pyrazole-3-carboxylate |
39846-84-9 | 95+% | 10g |
$458 | 2021-08-05 | |
| Chemenu | CM188656-25g |
Ethyl 5-nitro-1H-pyrazole-3-carboxylate |
39846-84-9 | 95+% | 25g |
$1021 | 2021-08-05 | |
| TRC | E926533-50mg |
Ethyl 5-Nitro-1H-pyrazole-3-carboxylate |
39846-84-9 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E926533-100mg |
Ethyl 5-Nitro-1H-pyrazole-3-carboxylate |
39846-84-9 | 100mg |
$ 65.00 | 2022-06-05 |
ethyl 3-nitro-1H-pyrazole-5-carboxylate Related Literature
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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