phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone

C28H20N2O — CID 59163086

IUPACphenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
SMILESO=C(c1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H20N2O/c31-28(23-17-9-3-10-18-23)26-25(21-13-5-1-6-14-21)27(22-15-7-2-8-16-22)30(29-26)24-19-11-4-12-20-24/h1-20H
InChIKeyIQCVWVMBTOCYIF-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.44
Rot. Bonds5

About phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone

phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone (PubChem CID 59163086) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
PubChem CID59163086
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Namephenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
SMILESO=C(c1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H20N2O/c31-28(23-17-9-3-10-18-23)26-25(21-13-5-1-6-14-21)27(22-15-7-2-8-16-22)30(29-26)24-19-11-4-12-20-24/h1-20H
InChIKeyIQCVWVMBTOCYIF-UHFFFAOYSA-N
XLogP6.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone 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

4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide
CID 9498377
N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide
CID 45268760
(2,5-diphenyltriazol-4-yl)-phenylmethanone
CID 13297593
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
3-methylsulfanyl-1,4,5-triphenylpyrazole
CID 11551885
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54695653
(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone
CID 14000361
3-(4-hydroxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
CID 712785
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
(5-amino-2-phenyltriazol-4-yl)-phenylmethanone
CID 174808968

Frequently Asked Questions

What is the IUPAC name of phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone?
The IUPAC name of phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone (CID 59163086) is phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone.
What is the SMILES notation for phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone?
The canonical SMILES for phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone is O=C(c1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone?
The InChIKey is IQCVWVMBTOCYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c31-28(23-17-9-3-10-18-23)26-25(21-13-5-1-6-14-21)27(22-15-7-2-8-16-22)30(29-26)24-19-11-4-12-20-24/h1-20H.
What are the key properties of phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone?
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone is sourced from PubChem (CID 59163086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).