5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-
TL;DR: 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- (CAS 91857-85-1) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1-methyl-3-phenylpyrazole-5-carboxylic acid
Also Known As: 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, 4-(Dimethylamino)-1-methyl-3-phenyl-5-pyrazolecarboxylic acid, 1H-Pyrazole-5-carboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, 4-(dimethylamino)-2-methyl-5-phenylpyrazole-3-carboxylic acid, 4-(Dimethylamino)-1-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 1.8513 |
| Topological Polar Surface Area | 58.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 573.42236 |
Chemical Identifiers
| CAS Number | 91857-85-1 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)N(C)C)C(=O)O |
Product Overview
5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- (CAS 91857-85-1), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 4-(dimethylamino)-1-methyl-3-phenylpyrazole-5-carboxylic acid.
Chemical Property Profile of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-
Property Insights of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-
The XLogP value of 1.8513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-. With a topological polar surface area (TPSA) of 58.36 Ų, 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- 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 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-?
The CAS number of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- is 91857-85-1.
What is the molecular formula of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-?
The molecular formula of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- is C13H15N3O2.
What is the molecular weight of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-?
The molecular weight of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- is 245.12 g/mol.
Where can I buy 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-?
You can request a quote for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.