4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
TL;DR: 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid (CAS 98198-65-3) 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.
4-chloro-1,3-dimethylpyrazole-5-carboxylic acid
Also Known As: 4-Chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid, 4-chloro-2,5-dimethylpyrazole-3-carboxylic acid, 1H-Pyrazole-5-carboxylic acid, 4-chloro-1,3-dimethyl-, AS381, 4599AF
| Molecular Formula | C6H7ClN2O2 |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0196 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 98198-65-3 |
|---|---|
| SMILES | CC1=NN(C(=C1Cl)C(=O)O)C |
| InChIKey | BSCNPVBDEITWDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid (CAS 98198-65-3), with molecular formula C6H7ClN2O2 and molecular weight 174.02 g/mol. IUPAC: 4-chloro-1,3-dimethylpyrazole-5-carboxylic acid.
Chemical Property Profile of 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
Property Insights of 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-1,3-dimethyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid is 98198-65-3.
What is the molecular formula of 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid is C6H7ClN2O2.
What is the molecular weight of 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid is 174.02 g/mol.
Where can I buy 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic 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-1,3-dimethyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.