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

C16H15N3 — CID 830683

IUPAC1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
SMILESC(=N/C1=NN(c2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C16H15N3/c1-3-7-14(8-4-1)13-17-16-11-12-19(18-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2/b17-13+
InChIKeyUDYKAVIZNPTVDK-GHRIWEEISA-N
MW249.32 g/mol
LogP3.33
Rot. Bonds2

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

1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine (PubChem CID 830683) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
PubChem CID830683
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
SMILESC(=N/C1=NN(c2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C16H15N3/c1-3-7-14(8-4-1)13-17-16-11-12-19(18-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2/b17-13+
InChIKeyUDYKAVIZNPTVDK-GHRIWEEISA-N
XLogP3.33
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diphenyl-4,5-dihydro-1H-pyrazole
CID 302304
1H-Pyrazole, 4,5-dihydro-1,3,5-triphenyl-
CID 95937
Benzaldehyde, 4-(diethylamino)-, 2,2-diphenylhydrazone
CID 92377
3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
1H-Pyrazole, 4,5-dihydro-3-(4-methylphenyl)-1-phenyl-
CID 616747
N-benzylidene-4-phenyl-1-piperazinamine
CID 5727501
Benzaldehyde 2-methyl-2-phenylhydrazone
CID 9585965
CID 263125
CID 263125
N,N-dimethyl-N'-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimidamide
CID 2861676
4-phenyl-N-(3-phenyl-2-propen-1-ylidene)-1-piperazinamine
CID 5540418
1,5-Diphenyl-3-styryl-2-pyrazoline
CID 5379000
4-((2,2-Diphenylhydrazono)methyl)-N,N-diethylaniline
CID 9580366

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The IUPAC name of 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine (CID 830683) is 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine.
What is the SMILES notation for 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The canonical SMILES for 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine is C(=N/C1=NN(c2ccccc2)CC1)\c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
The InChIKey is UDYKAVIZNPTVDK-GHRIWEEISA-N. The full InChI is InChI=1S/C16H15N3/c1-3-7-14(8-4-1)13-17-16-11-12-19(18-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2/b17-13+.
What are the key properties of 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine?
1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine has a molecular weight of 249.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine is sourced from PubChem (CID 830683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).