2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid
TL;DR: 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid (CAS 180741-31-5) is a chemical compound with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-methylpyrazol-1-yl)acetic acid
Also Known As: (4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid, (4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid, 2-(4-Chloro-3-methyl-1H-pyrazol-1-yl)acetic acid, 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid, 1H-pyrazole-1-acetic acid, 4-chloro-3-methyl-
| Molecular Formula | C6H7ClN2O2 |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 0.92952 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.0196 |
| Heavy Atoms | 11 |
| Complexity | 262.60968 |
Chemical Identifiers
| CAS Number | 180741-31-5 |
|---|---|
| SMILES | CC1=NN(C=C1Cl)CC(=O)O |
Product Overview
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid (CAS 180741-31-5), with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol. IUPAC: 2-(4-chloro-3-methylpyrazol-1-yl)acetic acid.
Chemical Property Profile of 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid
Property Insights of 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid
The XLogP value of 0.92952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid has 1 hydrogen bond donor(s) and 2 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 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid?
The CAS number of 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid is 180741-31-5.
What is the molecular formula of 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid?
The molecular formula of 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid is C6H7ClN2O2.
What is the molecular weight of 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid?
The molecular weight of 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid is 174.02 g/mol.
Where can I buy 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid?
You can request a quote for 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.