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

C9H7F3N2S — CID 174731394

IUPAC5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1-c1cccs1
InChIInChI=1S/C9H7F3N2S/c1-6-5-7(9(10,11)12)13-14(6)8-3-2-4-15-8/h2-5H,1H3
InChIKeyVXAUZSGKAFYAFF-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.26
Rot. Bonds1

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

5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 174731394) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID174731394
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1-c1cccs1
InChIInChI=1S/C9H7F3N2S/c1-6-5-7(9(10,11)12)13-14(6)8-3-2-4-15-8/h2-5H,1H3
InChIKeyVXAUZSGKAFYAFF-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
3-Methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole
CID 140579526
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
3,5-Dimethyl-1-(5-nitrothiophen-2-yl)pyrazole
CID 12778222
3,5-Dimethyl-1-thiophen-2-ylpyrazole
CID 23527869
3,5-Dimethyl-1-(thiophen-3-ylmethyl)pyrazole
CID 63810460
3,5-Dimethyl-1-thiophen-2-ylpyrazol-4-amine
CID 83807722
1-[5-(3,5-Dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole
CID 102044360

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole (CID 174731394) is 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1-c1cccs1.
What is the InChIKey of 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is VXAUZSGKAFYAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-6-5-7(9(10,11)12)13-14(6)8-3-2-4-15-8/h2-5H,1H3.
What are the key properties of 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole?
5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 232.23 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 174731394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).