1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-
TL;DR: 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- (CAS 93702-99-9) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-1-methylpyrazole-5-carboxylic acid
Also Known As: N-benzyl-N-isopropylaminoethanol, 4-anilino-2-methylpyrazole-3-carboxylic acid, 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-, 1-Methyl-4-(phenylamino)-1H-pyrazole-5-carboxylic acid, 4-Anilino-1-methyl-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.8619 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 505.20316 |
Chemical Identifiers
| CAS Number | 93702-99-9 |
|---|---|
| SMILES | CN1C(=C(C=N1)NC2=CC=CC=C2)C(=O)O |
Product Overview
1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- (CAS 93702-99-9), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 4-anilino-1-methylpyrazole-5-carboxylic acid.
Chemical Property Profile of 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-
Property Insights of 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-
The XLogP value of 1.8619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-. Following Lipinski's Rule of Five, 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- 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-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-?
The CAS number of 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- is 93702-99-9.
What is the molecular formula of 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-?
The molecular formula of 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- is C11H11N3O2.
What is the molecular weight of 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-?
The molecular weight of 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- is 217.09 g/mol.
Where can I buy 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-?
You can request a quote for 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.