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

C19H19N3O2 — CID 545073

IUPAC4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccccc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H19N3O2/c1-14-18(20-13-15-9-7-8-12-17(15)24-3)19(23)22(21(14)2)16-10-5-4-6-11-16/h4-13H,1-3H3/b20-13+
InChIKeyKZYVSBDKGIWJCC-DEDYPNTBSA-N
MW321.38 g/mol
LogP3.24
Rot. Bonds4

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

4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 545073) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID545073
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccccc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H19N3O2/c1-14-18(20-13-15-9-7-8-12-17(15)24-3)19(23)22(21(14)2)16-10-5-4-6-11-16/h4-13H,1-3H3/b20-13+
InChIKeyKZYVSBDKGIWJCC-DEDYPNTBSA-N
XLogP3.24
TPSA48.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Methoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5395481
1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
(4E)-4-(4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5386456
4-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 402961
4-(p-Anisidinomethylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
CID 212688
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-(Piperonylideneamino)antipyrine
CID 545078
4-[[2-(4-Methoxyphenyl)chromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1659194
1,5-dimethyl-4-({[4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylene}amino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 3473732
2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]pyridazin-3-one
CID 155530728

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 545073) is 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is COc1ccccc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is KZYVSBDKGIWJCC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-18(20-13-15-9-7-8-12-17(15)24-3)19(23)22(21(14)2)16-10-5-4-6-11-16/h4-13H,1-3H3/b20-13+.
What are the key properties of 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 321.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 545073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).