1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester
TL;DR: 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester (CAS 27116-86-5) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate
Also Known As: Methyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester, Methyl5-methyl-4-nitro-1H-pyrazole-3-carboxylate, methyl 3-methyl-4-nitro-1H-pyrazole-5-carboxylate, 1H-Pyrazole-3-carboxylicacid,5-methyl-4-nitro-,methylester
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 0.41292 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 356.76138 |
Chemical Identifiers
| CAS Number | 27116-86-5 |
|---|---|
| SMILES | CC1=C(C(=NN1)C(=O)OC)[N+](=O)[O-] |
Product Overview
1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester (CAS 27116-86-5), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: methyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate.
Chemical Property Profile of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester
Property Insights of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester
The XLogP value of 0.41292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester. The TPSA of 98.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester has 1 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-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester?
The CAS number of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester is 27116-86-5.
What is the molecular formula of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester?
The molecular formula of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester is C6H7N3O4.
What is the molecular weight of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester?
The molecular weight of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester is 185.04 g/mol.
Where can I buy 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester?
You can request a quote for 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 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-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.