1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine

C19H19N3O — CID 12883510

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine
SMILESCOc1ccc(/N=C(\c2ccccc2)n2nc(C)cc2C)cc1
InChIInChI=1S/C19H19N3O/c1-14-13-15(2)22(21-14)19(16-7-5-4-6-8-16)20-17-9-11-18(23-3)12-10-17/h4-13H,1-3H3/b20-19+
InChIKeyBNRBNIQBXJGLNI-FMQUCBEESA-N
MW305.38 g/mol
LogP4.14
Rot. Bonds3

About 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine

1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine (PubChem CID 12883510) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine
PubChem CID12883510
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine
SMILESCOc1ccc(/N=C(\c2ccccc2)n2nc(C)cc2C)cc1
InChIInChI=1S/C19H19N3O/c1-14-13-15(2)22(21-14)19(16-7-5-4-6-8-16)20-17-9-11-18(23-3)12-10-17/h4-13H,1-3H3/b20-19+
InChIKeyBNRBNIQBXJGLNI-FMQUCBEESA-N
XLogP4.14
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine (CID 12883510) is 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine is COc1ccc(/N=C(\c2ccccc2)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine?
The InChIKey is BNRBNIQBXJGLNI-FMQUCBEESA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-13-15(2)22(21-14)19(16-7-5-4-6-8-16)20-17-9-11-18(23-3)12-10-17/h4-13H,1-3H3/b20-19+.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine?
1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine has a molecular weight of 305.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-1-phenylmethanimine is sourced from PubChem (CID 12883510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).