2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile

C20H13N3S — CID 14000355

IUPAC2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C20H13N3S/c21-14-17-19(15-8-3-1-4-9-15)20(18-12-7-13-24-18)22-23(17)16-10-5-2-6-11-16/h1-13H
InChIKeyFWRMXUNDOARWPG-UHFFFAOYSA-N
MW327.41 g/mol
LogP5.14
Rot. Bonds3

About 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile

2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile (PubChem CID 14000355) has the molecular formula C20H13N3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
PubChem CID14000355
Molecular FormulaC20H13N3S
Molecular Weight327.41 g/mol
Exact Mass327.08
IUPAC Name2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C20H13N3S/c21-14-17-19(15-8-3-1-4-9-15)20(18-12-7-13-24-18)22-23(17)16-10-5-2-6-11-16/h1-13H
InChIKeyFWRMXUNDOARWPG-UHFFFAOYSA-N
XLogP5.14
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,4-diphenyl-3-thiophen-2-ylpyrazol-5-yl)-phenylmethanone
CID 14000361
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
2-oxo-1',6'-diphenyl-3'-thiophen-2-ylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 171355275
4-(3-methoxyphenyl)-1,3-diphenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162640371
2-(5-cyano-8-oxo-2-phenyl-3-thiophen-2-ylpyrido[3,4-c]pyridazin-6-yl)propanedinitrile
CID 134914501
4-(4-bromophenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole-5-carbonitrile
CID 6029404
4,6-diphenyl-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-7-one
CID 12964793
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
CID 172842617
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
1-phenyl-5-thiophen-2-yltriazole
CID 121010770
3-(5-methyl-1-phenylpyrazol-3-yl)-4-phenyl-6-thiophen-2-yl-1H-pyridin-2-one
CID 137276811

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile?
The IUPAC name of 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile (CID 14000355) is 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile?
The canonical SMILES for 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile is N#Cc1c(-c2ccccc2)c(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile?
The InChIKey is FWRMXUNDOARWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3S/c21-14-17-19(15-8-3-1-4-9-15)20(18-12-7-13-24-18)22-23(17)16-10-5-2-6-11-16/h1-13H.
What are the key properties of 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile?
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile has a molecular weight of 327.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 14000355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).