5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one
TL;DR: 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one (CAS 58686-39-8) 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.
5-amino-4-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: 5-Amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one, 5-amino-4-methyl-2-phenyl-4H-pyrazol-3-one, 5-Imino-4-methyl-2-phenylpyrazolidin-3-one, 3-Amino-4-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 1-phenyl-3-amino-4-methyl-2-pyrazolin-5-one
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 58686-39-8 |
|---|---|
| SMILES | CC1C(=NN(C1=O)C2=CC=CC=C2)N |
| InChIKey | FPPATQVGROAEOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one (CAS 58686-39-8), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 5-amino-4-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one
Property Insights of 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 58.7 Ų, 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one 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 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one?
The CAS number of 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one is 58686-39-8.
What is the molecular formula of 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one?
The molecular formula of 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one is C10H11N3O.
What is the molecular weight of 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one?
The molecular weight of 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one is 189.09 g/mol.
Where can I buy 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one?
You can request a quote for 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-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 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-2,4-dihydro-4-methyl-2-phenyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.