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

C18H19N3O2 — CID 3595244

IUPAC4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCc2ccccc2O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H19N3O2/c1-13-17(19-12-14-8-6-7-11-16(14)22)18(23)21(20(13)2)15-9-4-3-5-10-15/h3-11,19,22H,12H2,1-2H3
InChIKeyQOKFJGWHGCIFSL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.80
Rot. Bonds4

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

4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 3595244) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID3595244
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCc2ccccc2O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H19N3O2/c1-13-17(19-12-14-8-6-7-11-16(14)22)18(23)21(20(13)2)15-9-4-3-5-10-15/h3-11,19,22H,12H2,1-2H3
InChIKeyQOKFJGWHGCIFSL-UHFFFAOYSA-N
XLogP2.80
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(acetylamino)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
CID 5403184
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
2(1H)-Pyridinone, 5-ethyl-3-(((2-hydroxyphenyl)methyl)amino)-6-methyl-
CID 454357
4-[(2-Hydroxy-3-prop-2-enylphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 753624
4-[(3,5-Dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone
CID 1161100
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
CID 2460071
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide
CID 54677432
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-hexyl-2-hydroxy-4-oxoquinoline-3-carboxamide
CID 54678811
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-hydroxy-4-oxo-1-pentylquinoline-3-carboxamide
CID 54697694
(E)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-3-hydroxy-N,3-diphenylprop-2-enamide
CID 135439819
(Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
CID 135517161
1,5-Dimethyl-2-phenyl-4-[(2,4,6-trihydroxyphenyl)methylideneamino]pyrazol-3-one
CID 136230397

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 3595244) is 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(NCc2ccccc2O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is QOKFJGWHGCIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-17(19-12-14-8-6-7-11-16(14)22)18(23)21(20(13)2)15-9-4-3-5-10-15/h3-11,19,22H,12H2,1-2H3.
What are the key properties of 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 309.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 3595244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).