(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
TL;DR: (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid (CAS 351996-53-7) is a chemical compound with molecular formula C6H6ClN3O4 and molecular weight 219.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetic acid
Also Known As: aceticacid, (4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid, 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid, 1,1-Dimethyl-prop-2-ynylamine, ZERO/003003
| Molecular Formula | C6H6ClN3O4 |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 0.83772 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.00468 |
| Heavy Atoms | 14 |
| Complexity | 400.02603 |
Chemical Identifiers
| CAS Number | 351996-53-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)O)[N+](=O)[O-])Cl |
Product Overview
(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid (CAS 351996-53-7), with molecular formula C6H6ClN3O4 and molecular weight 219.00 g/mol. IUPAC: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetic acid.
Chemical Property Profile of (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
Property Insights of (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
The XLogP value of 0.83772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid. Following Lipinski's Rule of Five, (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid 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 (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid?
The CAS number of (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid is 351996-53-7.
What is the molecular formula of (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid?
The molecular formula of (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid is C6H6ClN3O4.
What is the molecular weight of (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid?
The molecular weight of (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid is 219.00 g/mol.
Where can I buy (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid?
You can request a quote for (4-Chloro-5-methyl-3-nitro-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 (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.