1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
TL;DR: 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- (CAS 19735-89-8) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 3-Methyl-1-phenyl-1H-pyrazol-5-ol, edaravone, N-Demethylantipyrine, 5-METHYL-2-PHENYL-1,2-DIHYDROPYRAZOL-3-ONE, edarabone
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
| Melting Point | 130 °C |
Chemical Identifiers
| CAS Number | 19735-89-8 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2=CC=CC=C2 |
| InChIKey | KZQYIMCESJLPQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazol-5-ol, 3-methyl-1-phenyl- (CAS 19735-89-8), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: 5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
Property Insights of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-. With a topological polar surface area (TPSA) of 32.3 Ų, 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- has 1 hydrogen bond donor(s) and 2 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-Pyrazol-5-ol, 3-methyl-1-phenyl-?
The CAS number of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- is 19735-89-8.
What is the molecular formula of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-?
The molecular formula of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- is C10H10N2O.
What is the molecular weight of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-?
The molecular weight of 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- is 174.08 g/mol.
Where can I buy 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-?
You can request a quote for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazol-5-ol, 3-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.