1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile

C16H10ClN3 — CID 15365439

IUPAC1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C16H10ClN3/c17-14-6-8-15(9-7-14)20-16(13(10-18)11-19-20)12-4-2-1-3-5-12/h1-9,11H
InChIKeyYGRCYWYZGOZLCQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.06
Rot. Bonds2

About 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile

1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile (PubChem CID 15365439) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
PubChem CID15365439
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C16H10ClN3/c17-14-6-8-15(9-7-14)20-16(13(10-18)11-19-20)12-4-2-1-3-5-12/h1-9,11H
InChIKeyYGRCYWYZGOZLCQ-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 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile (CID 15365439) is 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile is N#Cc1cnn(-c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile?
The InChIKey is YGRCYWYZGOZLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-14-6-8-15(9-7-14)20-16(13(10-18)11-19-20)12-4-2-1-3-5-12/h1-9,11H.
What are the key properties of 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile?
1-(4-chlorophenyl)-5-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 1-(4-chlorophenyl)-5-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 15365439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).