1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile

C17H11ClFN3 — CID 94962234

IUPAC1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
SMILESCc1cc(-c2cc(C#N)nn2-c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C17H11ClFN3/c1-11-8-12(2-7-16(11)19)17-9-14(10-20)21-22(17)15-5-3-13(18)4-6-15/h2-9H,1H3
InChIKeyWGPXKLVQSUMUEC-UHFFFAOYSA-N
MW311.75 g/mol
LogP4.51
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile

1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile (PubChem CID 94962234) has the molecular formula C17H11ClFN3 and a molecular weight of 311.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
PubChem CID94962234
Molecular FormulaC17H11ClFN3
Molecular Weight311.75 g/mol
Exact Mass311.06
IUPAC Name1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
SMILESCc1cc(-c2cc(C#N)nn2-c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C17H11ClFN3/c1-11-8-12(2-7-16(11)19)17-9-14(10-20)21-22(17)15-5-3-13(18)4-6-15/h2-9H,1H3
InChIKeyWGPXKLVQSUMUEC-UHFFFAOYSA-N
XLogP4.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-(4-chloro-3-methylphenyl)-1-(3-chlorophenyl)pyrazole-3-carbonitrile
CID 82220158
1-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)pyrazole-3-carbonitrile
CID 10687510
1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587253
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carbonitrile
CID 94962081
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile
CID 10735976
4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 71727324
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
CID 82220313
1-[4-(methylamino)phenyl]-5-(4-methylsulfinylphenyl)pyrazole-3-carbonitrile
CID 10616848
5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile
CID 94962125
5-(4-methylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile
CID 19886221

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile (CID 94962234) is 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile is Cc1cc(-c2cc(C#N)nn2-c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile?
The InChIKey is WGPXKLVQSUMUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3/c1-11-8-12(2-7-16(11)19)17-9-14(10-20)21-22(17)15-5-3-13(18)4-6-15/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile?
1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile has a molecular weight of 311.75 g/mol, XLogP of 4.51, 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-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 94962234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).