5-amino-1,3-diphenylpyrazole-4-carbonitrile

C16H12N4 — CID 2754619

IUPAC5-amino-1,3-diphenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H12N4/c17-11-14-15(12-7-3-1-4-8-12)19-20(16(14)18)13-9-5-2-6-10-13/h1-10H,18H2
InChIKeyOINIIZPIAZFCFG-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.99
Rot. Bonds2

About 5-amino-1,3-diphenylpyrazole-4-carbonitrile

5-amino-1,3-diphenylpyrazole-4-carbonitrile (PubChem CID 2754619) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-1,3-diphenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1,3-diphenylpyrazole-4-carbonitrile
PubChem CID2754619
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name5-amino-1,3-diphenylpyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H12N4/c17-11-14-15(12-7-3-1-4-8-12)19-20(16(14)18)13-9-5-2-6-10-13/h1-10H,18H2
InChIKeyOINIIZPIAZFCFG-UHFFFAOYSA-N
XLogP2.99
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-diphenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1,3-diphenylpyrazole-4-carbonitrile (CID 2754619) is 5-amino-1,3-diphenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1,3-diphenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1,3-diphenylpyrazole-4-carbonitrile is N#Cc1c(-c2ccccc2)nn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-1,3-diphenylpyrazole-4-carbonitrile?
The InChIKey is OINIIZPIAZFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-11-14-15(12-7-3-1-4-8-12)19-20(16(14)18)13-9-5-2-6-10-13/h1-10H,18H2.
What are the key properties of 5-amino-1,3-diphenylpyrazole-4-carbonitrile?
5-amino-1,3-diphenylpyrazole-4-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-diphenylpyrazole-4-carbonitrile is sourced from PubChem (CID 2754619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).