1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile

C15H10FN3O2S2 — CID 10497844

IUPAC1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile
SMILESCS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)s1
InChIInChI=1S/C15H10FN3O2S2/c1-23(20,21)15-7-6-14(22-15)13-8-11(9-17)18-19(13)12-4-2-10(16)3-5-12/h2-8H,1H3
InChIKeySMOCCYONUZZPSA-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.02
Rot. Bonds3

About 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile

1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile (PubChem CID 10497844) has the molecular formula C15H10FN3O2S2 and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile
PubChem CID10497844
Molecular FormulaC15H10FN3O2S2
Molecular Weight347.40 g/mol
Exact Mass347.02
IUPAC Name1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile
SMILESCS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)s1
InChIInChI=1S/C15H10FN3O2S2/c1-23(20,21)15-7-6-14(22-15)13-8-11(9-17)18-19(13)12-4-2-10(16)3-5-12/h2-8H,1H3
InChIKeySMOCCYONUZZPSA-UHFFFAOYSA-N
XLogP3.02
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile (CID 10497844) is 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile is CS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile?
The InChIKey is SMOCCYONUZZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S2/c1-23(20,21)15-7-6-14(22-15)13-8-11(9-17)18-19(13)12-4-2-10(16)3-5-12/h2-8H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile?
1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile has a molecular weight of 347.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 10497844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).