1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine

C17H17N3O — CID 748140

IUPAC1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
SMILESCOc1ccc(/C=N/C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H17N3O/c1-21-16-9-7-14(8-10-16)13-18-17-11-12-20(19-17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/b18-13+
InChIKeyBPKKICAYZSWXLF-QGOAFFKASA-N
MW279.34 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine

1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine (PubChem CID 748140) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
PubChem CID748140
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
SMILESCOc1ccc(/C=N/C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H17N3O/c1-21-16-9-7-14(8-10-16)13-18-17-11-12-20(19-17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/b18-13+
InChIKeyBPKKICAYZSWXLF-QGOAFFKASA-N
XLogP3.34
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.34
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-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine (CID 748140) is 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine is COc1ccc(/C=N/C2=NN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The InChIKey is BPKKICAYZSWXLF-QGOAFFKASA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-16-9-7-14(8-10-16)13-18-17-11-12-20(19-17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/b18-13+.
What are the key properties of 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine has a molecular weight of 279.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine is sourced from PubChem (CID 748140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).