5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile

C10H6F3N3S — CID 74766090

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile
SMILESCn1nc(-c2ccc(C#N)s2)cc1C(F)(F)F
InChIInChI=1S/C10H6F3N3S/c1-16-9(10(11,12)13)4-7(15-16)8-3-2-6(5-14)17-8/h2-4H,1H3
InChIKeyUGHNQFKTNKTKAE-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.04
Rot. Bonds1

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile (PubChem CID 74766090) has the molecular formula C10H6F3N3S and a molecular weight of 257.24 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile
PubChem CID74766090
Molecular FormulaC10H6F3N3S
Molecular Weight257.24 g/mol
Exact Mass257.02
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile
SMILESCn1nc(-c2ccc(C#N)s2)cc1C(F)(F)F
InChIInChI=1S/C10H6F3N3S/c1-16-9(10(11,12)13)4-7(15-16)8-3-2-6(5-14)17-8/h2-4H,1H3
InChIKeyUGHNQFKTNKTKAE-UHFFFAOYSA-N
XLogP3.04
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile (CID 74766090) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile is Cn1nc(-c2ccc(C#N)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
The InChIKey is UGHNQFKTNKTKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3S/c1-16-9(10(11,12)13)4-7(15-16)8-3-2-6(5-14)17-8/h2-4H,1H3.
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile has a molecular weight of 257.24 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 74766090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).