1,3-diphenylpyrazole-5-carbonitrile

C16H11N3 — CID 542822

IUPAC1,3-diphenylpyrazole-5-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H11N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-11H
InChIKeyDZSZJGUENGYDGV-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.41
Rot. Bonds2

About 1,3-diphenylpyrazole-5-carbonitrile

1,3-diphenylpyrazole-5-carbonitrile (PubChem CID 542822) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 1,3-diphenylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name1,3-diphenylpyrazole-5-carbonitrile
PubChem CID542822
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name1,3-diphenylpyrazole-5-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H11N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-11H
InChIKeyDZSZJGUENGYDGV-UHFFFAOYSA-N
XLogP3.41
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpyrazole-5-carbonitrile?
The IUPAC name of 1,3-diphenylpyrazole-5-carbonitrile (CID 542822) is 1,3-diphenylpyrazole-5-carbonitrile.
What is the SMILES notation for 1,3-diphenylpyrazole-5-carbonitrile?
The canonical SMILES for 1,3-diphenylpyrazole-5-carbonitrile is N#Cc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenylpyrazole-5-carbonitrile?
The InChIKey is DZSZJGUENGYDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-12-15-11-16(13-7-3-1-4-8-13)18-19(15)14-9-5-2-6-10-14/h1-11H.
What are the key properties of 1,3-diphenylpyrazole-5-carbonitrile?
1,3-diphenylpyrazole-5-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrazole-5-carbonitrile is sourced from PubChem (CID 542822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).