4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

C18H17N3O2 — CID 832826

IUPAC4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N3O2/c1-13-17(19-12-14-8-10-16(22)11-9-14)18(23)21(20(13)2)15-6-4-3-5-7-15/h3-12,22H,1-2H3/b19-12+
InChIKeyGBERRIHAQVAYBH-XDHOZWIPSA-N
MW307.35 g/mol
LogP2.94
Rot. Bonds3

About 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 832826) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID832826
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N3O2/c1-13-17(19-12-14-8-10-16(22)11-9-14)18(23)21(20(13)2)15-6-4-3-5-7-15/h3-12,22H,1-2H3/b19-12+
InChIKeyGBERRIHAQVAYBH-XDHOZWIPSA-N
XLogP2.94
TPSA59.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-hydroxybenzyl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 3595244
4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 402961
4-((N-4-Methoxybenzylidene)amino)antipyrine
CID 36055
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
4-(3,4-Dimethoxybenzylideneamino)antipyrine
CID 1101245
4-[(3,4-dihydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 766409
2-hydroxybenzaldehyde [3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135501775
1,5-Dimethyl-2-phenyl-4-[(2,4,6-trihydroxyphenyl)methylideneamino]pyrazol-3-one
CID 136230397
4-[(2-Benzyl-2-phenylhydrazinyl)methylidene]cyclohexa-2,5-dien-1-one
CID 135520003
1-Phenyl-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one
CID 135436329
2,3-Dimethyl-4-(m-methoxybenzylideneamino)-1-phenyl-3-pyrazolin-5-one
CID 51032
(Z)-4-(4-hydroxybenzylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 135421553

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 832826) is 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=C/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is GBERRIHAQVAYBH-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-17(19-12-14-8-10-16(22)11-9-14)18(23)21(20(13)2)15-6-4-3-5-7-15/h3-12,22H,1-2H3/b19-12+.
What are the key properties of 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 307.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 832826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).