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

C20H21N3O4 — CID 135819200

IUPAC4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1O
InChIInChI=1S/C20H21N3O4/c1-13-18(20(25)23(22(13)2)15-8-6-5-7-9-15)21-12-14-10-16(26-3)19(24)17(11-14)27-4/h5-12,24H,1-4H3/b21-12+
InChIKeyIQEWHNPXGZLFET-CIAFOILYSA-N
MW367.41 g/mol
LogP2.96
Rot. Bonds5

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

4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 135819200) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID135819200
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1O
InChIInChI=1S/C20H21N3O4/c1-13-18(20(25)23(22(13)2)15-8-6-5-7-9-15)21-12-14-10-16(26-3)19(24)17(11-14)27-4/h5-12,24H,1-4H3/b21-12+
InChIKeyIQEWHNPXGZLFET-CIAFOILYSA-N
XLogP2.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethoxy-4-(((4-(2-methoxyphenyl)-1-piperazinyl)imino)methyl)phenol
CID 135498032
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
4-(3,4-Dimethoxybenzylideneamino)antipyrine
CID 1101245
4-(Piperonylideneamino)antipyrine
CID 545078
N-(3-chlorophenyl)-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 334737
4-[(3,4-dihydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 766409
1,5-Dimethyl-2-phenyl-4-[(2,4,6-trihydroxyphenyl)methylideneamino]pyrazol-3-one
CID 136230397
2,3-Dimethyl-4-(m-methoxybenzylideneamino)-1-phenyl-3-pyrazolin-5-one
CID 51032
4-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CID 690814
4-(4-Hydroxy-3,5-dimethoxybenzylidene)-3-methyl-1-phenyl-1H-pyrazole-5(4H)-one
CID 135533680
N-(2-Fluoro-phenyl)-2-oxo-2-[N'-(3,4,5-trimethoxy-benzylidene)-hydrazino]-acetamide
CID 6877596

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 135819200) is 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1O.
What is the InChIKey of 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is IQEWHNPXGZLFET-CIAFOILYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-18(20(25)23(22(13)2)15-8-6-5-7-9-15)21-12-14-10-16(26-3)19(24)17(11-14)27-4/h5-12,24H,1-4H3/b21-12+.
What are the key properties of 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 367.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 135819200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).