3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile

C16H10ClN3 — CID 876517

IUPAC3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClN3/c17-14-8-6-12(7-9-14)16-13(10-18)11-20(19-16)15-4-2-1-3-5-15/h1-9,11H
InChIKeyKLCFJXVHPIBZFH-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.06
Rot. Bonds2

About 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile

3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 876517) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile
PubChem CID876517
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClN3/c17-14-8-6-12(7-9-14)16-13(10-18)11-20(19-16)15-4-2-1-3-5-15/h1-9,11H
InChIKeyKLCFJXVHPIBZFH-UHFFFAOYSA-N
XLogP4.06
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile (CID 876517) is 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile is N#Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is KLCFJXVHPIBZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-14-8-6-12(7-9-14)16-13(10-18)11-20(19-16)15-4-2-1-3-5-15/h1-9,11H.
What are the key properties of 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile?
3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 279.73 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 876517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).