phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone

C25H24N2O — CID 14639201

IUPACphenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone
SMILESCC1(C)C(c2ccccc2)=NN(C(=O)c2ccccc2)C1(C)c1ccccc1
InChIInChI=1S/C25H24N2O/c1-24(2)22(19-13-7-4-8-14-19)26-27(23(28)20-15-9-5-10-16-20)25(24,3)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyUFEPSBOKIZSGDD-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.49
Rot. Bonds3

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

phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone (PubChem CID 14639201) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone
PubChem CID14639201
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Namephenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone
SMILESCC1(C)C(c2ccccc2)=NN(C(=O)c2ccccc2)C1(C)c1ccccc1
InChIInChI=1S/C25H24N2O/c1-24(2)22(19-13-7-4-8-14-19)26-27(23(28)20-15-9-5-10-16-20)25(24,3)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyUFEPSBOKIZSGDD-UHFFFAOYSA-N
XLogP5.49
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 51426988
[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
(2-benzoyl-3-hydroxy-4,4,5-trimethylpyrazol-3-yl)methyl acetate
CID 14910390
[(5R)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387345
[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387344
(5-tert-butyl-5-hydroxy-3-methyl-4H-pyrazol-1-yl)-phenylmethanone
CID 3101234
2-methyl-2,3-diphenylazirine
CID 13307627
N'-[(3S)-2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl]benzohydrazide
CID 685671
(3-hydroxy-2,2-dimethylaziridin-1-yl)-phenylmethanone
CID 151500520
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
4-(hydroxyamino)-2,4-dimethyl-5-phenylpyrazol-3-one
CID 118541979
2,4-dimethyl-5-phenyl-4-sulfanylpyrazol-3-one
CID 118538602

Frequently Asked Questions

What is the IUPAC name of phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone?
The IUPAC name of phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone (CID 14639201) is phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone.
What is the SMILES notation for phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone?
The canonical SMILES for phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone is CC1(C)C(c2ccccc2)=NN(C(=O)c2ccccc2)C1(C)c1ccccc1.
What is the InChIKey of phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone?
The InChIKey is UFEPSBOKIZSGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-24(2)22(19-13-7-4-8-14-19)26-27(23(28)20-15-9-5-10-16-20)25(24,3)21-17-11-6-12-18-21/h4-18H,1-3H3.
What are the key properties of phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone?
phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4,4,5-trimethyl-3,5-diphenylpyrazol-1-yl)methanone is sourced from PubChem (CID 14639201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).