3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 175277-11-9) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-methylpyrazole-5-carboxylic acid
Also Known As: 3-(tert-butyl)-1-methyl-1h-pyrazole-5-carboxylic acid, 3-tert-butyl-1-methylpyrazole-5-carboxylic acid, 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid, Maybridge1_008671, butylmethylpyrazolecarboxylicacid
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 175277-11-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)O)C |
| InChIKey | SFSXXMXHJOSBAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 175277-11-9), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 3-tert-butyl-1-methylpyrazole-5-carboxylic acid.
Chemical Property Profile of 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-butyl-1-methyl-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 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid is 175277-11-9.
What is the molecular formula of 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid is C9H14N2O2.
What is the molecular weight of 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid is 182.11 g/mol.
Where can I buy 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-tert-butyl-1-methyl-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 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.