5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one (CAS 156413-71-7) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-4-benzylidene-1H-pyrazol-5-one
Also Known As: 3-amino-4-benzylidene-1H-pyrazol-5-one, 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one, 5-Amino-2,4-dihydro-4-(phenylmethylene)-3H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C10H9N3O |
| Molecular Weight | 187.07455 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.07455 Da |
| Heavy Atoms | 14 |
| Complexity | 300.0 |
| SMILES | C1=CC=C(C=C1)C=C2C(=NNC2=O)N |
| InChIKey | GTLSGCLWWCKKER-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-amino-4-benzylidene-2,4-dihydro-3H-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
What is the CAS number of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one is 156413-71-7.
What is the molecular formula of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one is C10H9N3O.
What is the molecular weight of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one is 187.07455 g/mol.
Where can I buy 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 5-amino-4-benzylidene-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.