1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester
TL;DR: 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester (CAS 917205-48-2) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl) 1-methylpyrazole-3-carboxylate
Also Known As: ASN 10139861, (2-anilino-2-oxoethyl) 1-methylpyrazole-3-carboxylate, (N-phenylcarbamoyl)methyl 1-methylpyrazole-3-carboxylate, 2-oxo-2-(phenylamino)ethyl 1-methyl-1H-pyrazole-3-carboxylate, 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.2156 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 577.8292 |
Chemical Identifiers
| CAS Number | 917205-48-2 |
|---|---|
| SMILES | CN1C=CC(=N1)C(=O)OCC(=O)NC2=CC=CC=C2 |
Product Overview
1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester (CAS 917205-48-2), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: (2-anilino-2-oxoethyl) 1-methylpyrazole-3-carboxylate.
Chemical Property Profile of 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester
Property Insights of 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester
The XLogP value of 1.2156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester. Following Lipinski's Rule of Five, 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester has 1 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 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester?
The CAS number of 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester is 917205-48-2.
What is the molecular formula of 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester?
The molecular formula of 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester is C13H13N3O3.
What is the molecular weight of 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester?
The molecular weight of 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester is 259.10 g/mol.
Where can I buy 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester?
You can request a quote for 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1H-pyrazole-3-carboxylic acid phenylcarbamoylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.