2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one

C29H20N4O — CID 102437700

IUPAC2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc(-c3ccccc3)nn2-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C29H20N4O/c34-29-24-18-10-11-19-25(24)30-28(32(29)22-14-6-2-7-15-22)27-20-26(21-12-4-1-5-13-21)31-33(27)23-16-8-3-9-17-23/h1-20H
InChIKeyJKFSGUXICLXRHC-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.91
Rot. Bonds4

About 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one

2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one (PubChem CID 102437700) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
PubChem CID102437700
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc(-c3ccccc3)nn2-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C29H20N4O/c34-29-24-18-10-11-19-25(24)30-28(32(29)22-14-6-2-7-15-22)27-20-26(21-12-4-1-5-13-21)31-33(27)23-16-8-3-9-17-23/h1-20H
InChIKeyJKFSGUXICLXRHC-UHFFFAOYSA-N
XLogP5.91
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
1,3,5-triphenylpyrazole
CID 626614
2-(3-methyl-5-phenylpyrazol-1-yl)-3-phenylquinazolin-4-one
CID 71740654
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one (CID 102437700) is 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2cc(-c3ccccc3)nn2-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one?
The InChIKey is JKFSGUXICLXRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c34-29-24-18-10-11-19-25(24)30-28(32(29)22-14-6-2-7-15-22)27-20-26(21-12-4-1-5-13-21)31-33(27)23-16-8-3-9-17-23/h1-20H.
What are the key properties of 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one?
2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one has a molecular weight of 440.51 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-5-yl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 102437700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).