4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole

C9H7F3N2S — CID 91321982

IUPAC4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
SMILESCc1cn(-c2ccsc2)nc1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-6-4-14(7-2-3-15-5-7)13-8(6)9(10,11)12/h2-5H,1H3
InChIKeyXCEIOASKOMDHOA-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.26
Rot. Bonds1

About 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole

4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole (PubChem CID 91321982) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
PubChem CID91321982
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
SMILESCc1cn(-c2ccsc2)nc1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-6-4-14(7-2-3-15-5-7)13-8(6)9(10,11)12/h2-5H,1H3
InChIKeyXCEIOASKOMDHOA-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

N-(3-thienyl)pyrazole
CID 11480538
1-Thiophen-3-yl-5-(trifluoromethyl)pyrazole
CID 90959824
1-Thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 90985717
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
5-(Difluoromethyl)-1-thiophen-3-ylpyrazole
CID 173589750
1-(2-Thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole
CID 116621313
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
3-[(3-Methylthiophen-2-yl)sulfonylmethyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 167900899
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole (CID 91321982) is 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole is Cc1cn(-c2ccsc2)nc1C(F)(F)F.
What is the InChIKey of 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is XCEIOASKOMDHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-6-4-14(7-2-3-15-5-7)13-8(6)9(10,11)12/h2-5H,1H3.
What are the key properties of 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole?
4-methyl-1-thiophen-3-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 4-methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 91321982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).