![1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid structure](/static/products/842/842972-72-9.png)
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
TL;DR: 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid (CAS 842972-72-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylic acid
Also Known As: 1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid, 2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid, 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid, 2,4,5,6,7,8-Hexahydro-cycloheptapyrazole-3-carboxylic acid, BAS 15420831
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 842972-72-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)NN=C2C(=O)O |
| InChIKey | NFNLJMOKEMQHAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid (CAS 842972-72-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylic acid.
Chemical Property Profile of 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
Property Insights of 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid has 2 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 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid?
The CAS number of 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid is 842972-72-9.
What is the molecular formula of 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid?
The molecular formula of 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid is C9H12N2O2.
What is the molecular weight of 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid?
The molecular weight of 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid is 180.09 g/mol.
Where can I buy 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid?
You can request a quote for 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.