1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole

C9H7F3N2S — CID 2780594

IUPAC1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2cccs2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3
InChIKeyXFKJHEOGGKXEHH-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.17
Rot. Bonds1

About 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole

1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 2780594) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID2780594
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2cccs2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3
InChIKeyXFKJHEOGGKXEHH-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole (CID 2780594) is 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2cccs2)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is XFKJHEOGGKXEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3.
What are the key properties of 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole?
1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 232.23 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2780594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).