2,5-diphenyl-4H-pyrazol-3-imine

C15H13N3 — CID 20788243

IUPAC2,5-diphenyl-4H-pyrazol-3-imine
SMILES[H]/N=C1\CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C15H13N3/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10,16H,11H2/b16-15+
InChIKeyYDIKIZRJUMEJEE-FOCLMDBBSA-N
MW235.29 g/mol
LogP3.28
Rot. Bonds2

About 2,5-diphenyl-4H-pyrazol-3-imine

2,5-diphenyl-4H-pyrazol-3-imine (PubChem CID 20788243) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2,5-diphenyl-4H-pyrazol-3-imine.

Molecular Properties

Compound Name2,5-diphenyl-4H-pyrazol-3-imine
PubChem CID20788243
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2,5-diphenyl-4H-pyrazol-3-imine
SMILES[H]/N=C1\CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C15H13N3/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10,16H,11H2/b16-15+
InChIKeyYDIKIZRJUMEJEE-FOCLMDBBSA-N
XLogP3.28
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,5-diphenyl-4H-pyrazol-3-imine?
The IUPAC name of 2,5-diphenyl-4H-pyrazol-3-imine (CID 20788243) is 2,5-diphenyl-4H-pyrazol-3-imine.
What is the SMILES notation for 2,5-diphenyl-4H-pyrazol-3-imine?
The canonical SMILES for 2,5-diphenyl-4H-pyrazol-3-imine is [H]/N=C1\CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 2,5-diphenyl-4H-pyrazol-3-imine?
The InChIKey is YDIKIZRJUMEJEE-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H13N3/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10,16H,11H2/b16-15+.
What are the key properties of 2,5-diphenyl-4H-pyrazol-3-imine?
2,5-diphenyl-4H-pyrazol-3-imine has a molecular weight of 235.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-4H-pyrazol-3-imine is sourced from PubChem (CID 20788243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).