1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine

C20H21N3O — CID 118868238

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine
SMILESCOc1cc(C)ccc1/N=C(\c1ccccc1)c1cn(C)nc1C
InChIInChI=1S/C20H21N3O/c1-14-10-11-18(19(12-14)24-4)21-20(16-8-6-5-7-9-16)17-13-23(3)22-15(17)2/h5-13H,1-4H3/b21-20+
InChIKeyBUJKGILUUQGKKR-QZQOTICOSA-N
MW319.41 g/mol
LogP4.21
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine

1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine (PubChem CID 118868238) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine
PubChem CID118868238
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine
SMILESCOc1cc(C)ccc1/N=C(\c1ccccc1)c1cn(C)nc1C
InChIInChI=1S/C20H21N3O/c1-14-10-11-18(19(12-14)24-4)21-20(16-8-6-5-7-9-16)17-13-23(3)22-15(17)2/h5-13H,1-4H3/b21-20+
InChIKeyBUJKGILUUQGKKR-QZQOTICOSA-N
XLogP4.21
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine (CID 118868238) is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine is COc1cc(C)ccc1/N=C(\c1ccccc1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine?
The InChIKey is BUJKGILUUQGKKR-QZQOTICOSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-10-11-18(19(12-14)24-4)21-20(16-8-6-5-7-9-16)17-13-23(3)22-15(17)2/h5-13H,1-4H3/b21-20+.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine?
1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine has a molecular weight of 319.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 118868238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).