1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid
TL;DR: 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS 139755-99-0) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-propylpyrazole-5-carboxylic acid
Also Known As: 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid, Sildenafil Impurity 37, 2-Methyl-5-propyl-2H-pyrazole-3-carboxylic acid, 1-methyl-3-propylpyrazole-5-carboxylic acid, Sildenafil Impurity 57
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 139755-99-0 |
|---|---|
| SMILES | CCCC1=NN(C(=C1)C(=O)O)C |
| InChIKey | KOABFSONXOOIIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid (CAS 139755-99-0), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 1-methyl-3-propylpyrazole-5-carboxylic acid.
Chemical Property Profile of 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid
Property Insights of 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-propyl-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 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid is 139755-99-0.
What is the molecular formula of 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid is C8H12N2O2.
What is the molecular weight of 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid is 168.09 g/mol.
Where can I buy 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 1-methyl-3-propyl-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 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.