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

C20H21N3O2 — CID 70693290

IUPAC4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1C
InChIInChI=1S/C20H21N3O2/c1-14-12-16(10-11-18(14)25-4)13-21-19-15(2)22(3)23(20(19)24)17-8-6-5-7-9-17/h5-13H,1-4H3/b21-13+
InChIKeyFGLTXVGIZRPHON-FYJGNVAPSA-N
MW335.41 g/mol
LogP3.55
Rot. Bonds4

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

4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 70693290) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID70693290
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1C
InChIInChI=1S/C20H21N3O2/c1-14-12-16(10-11-18(14)25-4)13-21-19-15(2)22(3)23(20(19)24)17-8-6-5-7-9-17/h5-13H,1-4H3/b21-13+
InChIKeyFGLTXVGIZRPHON-FYJGNVAPSA-N
XLogP3.55
TPSA48.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 70693290) is 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1C.
What is the InChIKey of 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is FGLTXVGIZRPHON-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-12-16(10-11-18(14)25-4)13-21-19-15(2)22(3)23(20(19)24)17-8-6-5-7-9-17/h5-13H,1-4H3/b21-13+.
What are the key properties of 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 335.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 70693290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).