Cas no 175277-09-5 (1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid)
1-tert-Butyl-3-methyl-1H-pyrazole-5-carboxylic acid is a pyrazole-based carboxylic acid derivative with applications in pharmaceutical and agrochemical research. Its tert-butyl and methyl substituents enhance steric and electronic properties, making it a versatile intermediate in heterocyclic synthesis. The carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, and other bioactive compounds. This compound exhibits stability under standard conditions and is compatible with a range of reaction conditions, facilitating its use in multi-step synthetic routes. Its structural features make it valuable for developing enzyme inhibitors, ligands, and other biologically active molecules. Suitable for controlled laboratory use with proper handling protocols.
175277-09-5 structure
Product Name:1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
CAS No:175277-09-5
MF:C9H14N2O2
MW:182.219662189484
MDL:MFCD00084917
CID:133851
PubChem ID:2744573
Update Time:2025-06-07
1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid
- 1H-Pyrazole-5-carboxylicacid, 1-(1,1-dimethylethyl)-3-methyl-
- 1-tert-Butyl-3-methyl-1H-pyrazole-5-carboxylic acid
- 2-tert-butyl-5-methylpyrazole-3-carboxylic acid
- BUTTPARK 92\18-70
- 1-(tert-Butyl)-5- carboxy-3-methyl-1H-pyrazole
- 1-(TERT-BUTYL)-3-METHYLPYRAZOLE-5-CARBOXYLIC ACID
- 1-(1,1-DIMETHYLETHYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLICACID
- 2-tert-butyl-5-methyl-2h-pyrazole-3-carboxylic acid
- J-011093
- 1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-methyl-
- HMS2800B16
- FT-0605876
- MLS000851004
- SMR000457021
- DTXSID00372537
- 2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid
- Maybridge1_008627
- 175277-09-5
- 1-tert-Butyl-3-methyl-1H-pyrazole-5-carboxylicacid
- AC-9355
- MFCD00084917
- 1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
- SCHEMBL1326795
- HMS566A03
- 1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylicacid
- AKOS006230463
- CHEMBL1906292
- CS-0101163
- A811996
- AS-5384
- Z1201618969
- EN300-1616889
- 1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid, 95+%
- DB-012952
- 1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid
-
- MDL： MFCD00084917
- Inchi： 1S/C9H14N2O2/c1-6-5-7(8(12)13)11(10-6)9(2,3)4/h5H,1-4H3,(H,12,13)
- InChI Key： JZPMLZWJUMATOQ-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C)=NN1C(C)(C)C)=O
Computed Properties
- Exact Mass: 182.10600
- Monoisotopic Mass: 182.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 210
- 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: 55.1A^2
- XLogP3: 1.4
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Melting Point: 149 °C
- Boiling Point: 313.9±22.0 °C at 760 mmHg
- Flash Point: 143.7±22.3 °C
- Refractive Index: 1.533
- PSA: 55.12000
- LogP: 1.64470
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： Irritant
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 36/37/38-22
- Safety Instruction： S26; S36/37/39
-
Hazardous Material Identification：
- Safety Term：S26-36/37/39
- Risk Phrases：R36/37/38
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid 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%
1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049003223-1g |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
175277-09-5 | 95% | 1g |
$162.00 | 2022-04-02 | |
| Alichem | A049003223-5g |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
175277-09-5 | 95% | 5g |
$551.25 | 2022-04-02 | |
| Fluorochem | 225725-250mg |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
175277-09-5 | 95% | 250mg |
￡27.00 | 2022-02-28 | |
| Fluorochem | 225725-1g |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
175277-09-5 | 95% | 1g |
￡45.00 | 2022-02-28 | |
| Fluorochem | 225725-5g |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
175277-09-5 | 95% | 5g |
￡216.00 | 2022-02-28 | |
| TRC | B809990-50mg |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic Acid |
175277-09-5 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B809990-100mg |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic Acid |
175277-09-5 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B809990-500mg |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic Acid |
175277-09-5 | 500mg |
$ 115.00 | 2022-06-06 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B893797-5g |
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
175277-09-5 | ≥95% | 5g |
1,575.00 | 2021-05-17 | |
| Chemenu | CM189031-1g |
1-tert-Butyl-3-methyl-1H-pyrazole-5-carboxylic acid |
175277-09-5 | 95+% | 1g |
$129 | 2021-08-05 |
1-tert-butyl-3-methyl-1H-pyrazole-5-carboxylic acid Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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