(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one

C24H19N3O2 — CID 127051687

IUPAC(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-21-13-11-19(12-14-21)25-16-15-23(29)22-17-27(20-9-5-2-6-10-20)26-24(22)18-7-3-1-4-8-18/h1-17,25,28H/b16-15-
InChIKeyBQCOUJYYNSPSCH-NXVVXOECSA-N
MW381.44 g/mol
LogP5.05
Rot. Bonds6

About (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one

(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one (PubChem CID 127051687) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
PubChem CID127051687
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H19N3O2/c28-21-13-11-19(12-14-21)25-16-15-23(29)22-17-27(20-9-5-2-6-10-20)26-24(22)18-7-3-1-4-8-18/h1-17,25,28H/b16-15-
InChIKeyBQCOUJYYNSPSCH-NXVVXOECSA-N
XLogP5.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)benzoicacid
CID 11516424
3-({[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 1287838
(2-hydroxyphenyl)[1-(4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1481829
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
2-(3-(1-(4-hydroxyphenyl)-1H-pyrazol-4-yl)propanamido)benzoicacid
CID 46890165
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 70692158

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one?
The IUPAC name of (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one (CID 127051687) is (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one is O=C(/C=C\Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one?
The InChIKey is BQCOUJYYNSPSCH-NXVVXOECSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-21-13-11-19(12-14-21)25-16-15-23(29)22-17-27(20-9-5-2-6-10-20)26-24(22)18-7-3-1-4-8-18/h1-17,25,28H/b16-15-.
What are the key properties of (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one?
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one has a molecular weight of 381.44 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one is sourced from PubChem (CID 127051687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).