1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone

C24H19N3O — CID 135209235

IUPAC1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3O/c1-18(28)22-17-27(21-15-9-4-10-16-21)26-24(22)25-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyRCGRRTDDGMUFMX-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.24
Rot. Bonds5

About 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone

1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone (PubChem CID 135209235) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone
PubChem CID135209235
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N3O/c1-18(28)22-17-27(21-15-9-4-10-16-21)26-24(22)25-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3
InChIKeyRCGRRTDDGMUFMX-UHFFFAOYSA-N
XLogP5.24
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone
CID 15984451
3-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-1-phenylpyrazole-4-carboxylic acid
CID 135736470
1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one
CID 71418103
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
1-[4-benzoyl-1-(3-bromophenyl)pyrazol-3-yl]ethanone
CID 1214642
3-(4-acetylphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 152594279
1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone
CID 45034404
dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone
CID 142770595
2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone (CID 135209235) is 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone is CC(=O)c1cn(-c2ccccc2)nc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone?
The InChIKey is RCGRRTDDGMUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-18(28)22-17-27(21-15-9-4-10-16-21)26-24(22)25-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3.
What are the key properties of 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone?
1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone is sourced from PubChem (CID 135209235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).