4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
TL;DR: 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one (CAS 99694-71-0) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: starbld0026741, 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one, 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 1-phenyl-3-methyl-4-amino-pyrazoline-5-one, J2.041.120A
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.05622 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 495.8308 |
Chemical Identifiers
| CAS Number | 99694-71-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)N |
Product Overview
4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one (CAS 99694-71-0), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Property Insights of 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
The XLogP value of 1.05622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one has 2 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 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The CAS number of 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is 99694-71-0.
What is the molecular formula of 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular formula of 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is C10H11N3O.
What is the molecular weight of 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular weight of 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one is 189.09 g/mol.
Where can I buy 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
You can request a quote for 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.