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

C9H7F3N2S — CID 4076860

IUPAC1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1cccs1
InChIInChI=1S/C9H7F3N2S/c1-14-6(7-3-2-4-15-7)5-8(13-14)9(10,11)12/h2-5H,1H3
InChIKeyJLLXDLYHXVHVAT-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.17
Rot. Bonds1

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

1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 4076860) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID4076860
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1cccs1
InChIInChI=1S/C9H7F3N2S/c1-14-6(7-3-2-4-15-7)5-8(13-14)9(10,11)12/h2-5H,1H3
InChIKeyJLLXDLYHXVHVAT-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-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 4076860) is 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1-c1cccs1.
What is the InChIKey of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is JLLXDLYHXVHVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-14-6(7-3-2-4-15-7)5-8(13-14)9(10,11)12/h2-5H,1H3.
What are the key properties of 1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
1-methyl-5-thiophen-2-yl-3-(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-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 4076860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).