1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester
TL;DR: 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester (CAS 1572-13-0) is a chemical compound with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-diamino-1H-pyrazole-4-carboxylate
Also Known As: methyl 3,5-diamino-1H-pyrazole-4-carboxylate, 3,5-diamino-4-carbomethoxypyrazole, 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester, NCI60_007654, methyl3,5-diamino-1H-pyrazole-4-carboxylate
| Molecular Formula | C5H8N4O2 |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.06473 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 1572-13-0 |
|---|---|
| SMILES | COC(=O)C1=C(NN=C1N)N |
| InChIKey | DBRGFYZSJHOBGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester (CAS 1572-13-0), with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol. IUPAC: methyl 3,5-diamino-1H-pyrazole-4-carboxylate.
Chemical Property Profile of 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester
Property Insights of 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester
The XLogP value of -0.1 indicates that 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester has 3 hydrogen bond donor(s) and 5 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 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester?
The CAS number of 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester is 1572-13-0.
What is the molecular formula of 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester?
The molecular formula of 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester is C5H8N4O2.
What is the molecular weight of 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester?
The molecular weight of 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester is 156.06 g/mol.
Where can I buy 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester?
You can request a quote for 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.