2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile

C16H13N3 — CID 3869572

IUPAC2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile
SMILESN#CC1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H13N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKeyBSKPIEALJAZZOT-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.19
Rot. Bonds2

About 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile

2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile (PubChem CID 3869572) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile.

Molecular Properties

Compound Name2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile
PubChem CID3869572
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile
SMILESN#CC1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C16H13N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKeyBSKPIEALJAZZOT-UHFFFAOYSA-N
XLogP3.19
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile?
The IUPAC name of 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile (CID 3869572) is 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile.
What is the SMILES notation for 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile?
The canonical SMILES for 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile is N#CC1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile?
The InChIKey is BSKPIEALJAZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-10,15H,11H2.
What are the key properties of 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile?
2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-3,4-dihydropyrazole-3-carbonitrile is sourced from PubChem (CID 3869572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).