5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
TL;DR: 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid (CAS 4058-91-7) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-methylpyrazole-4-carboxylic acid
Also Known As: 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid, null, 5-Amino-1-methylpyrazole-4-carboxylic acid, NVRCXLPKLCKSSN-UHFFFAOYSA-, 2-Pyridinecarboxaldehyde, 4-bromo-
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 4058-91-7 |
|---|---|
| SMILES | CN1C(=C(C=N1)C(=O)O)N |
| InChIKey | NVRCXLPKLCKSSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-amino-1-methyl-1H-pyrazole-4-carboxylic acid (CAS 4058-91-7), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: 5-amino-1-methylpyrazole-4-carboxylic acid.
Chemical Property Profile of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
Property Insights of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid?
The CAS number of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid is 4058-91-7.
What is the molecular formula of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid?
The molecular formula of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid is C5H7N3O2.
What is the molecular weight of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid?
The molecular weight of 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid is 141.05 g/mol.
Where can I buy 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid?
You can request a quote for 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.