3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one

C24H18FN3O — CID 164610081

IUPAC3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=CNc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O/c25-20-13-11-19(12-14-20)23(29)15-16-26-24-17-22(18-7-3-1-4-8-18)27-28(24)21-9-5-2-6-10-21/h1-17,26H
InChIKeyNOGAQMXVCIAEMO-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.49
Rot. Bonds6

About 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one

3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 164610081) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one
PubChem CID164610081
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(C=CNc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN3O/c25-20-13-11-19(12-14-20)23(29)15-16-26-24-17-22(18-7-3-1-4-8-18)27-28(24)21-9-5-2-6-10-21/h1-17,26H
InChIKeyNOGAQMXVCIAEMO-UHFFFAOYSA-N
XLogP5.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one (CID 164610081) is 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one is O=C(C=CNc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is NOGAQMXVCIAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c25-20-13-11-19(12-14-20)23(29)15-16-26-24-17-22(18-7-3-1-4-8-18)27-28(24)21-9-5-2-6-10-21/h1-17,26H.
What are the key properties of 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one?
3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 383.43 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diphenylpyrazol-5-yl)amino]-1-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 164610081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).