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

C9H7F3N2S — CID 140579526

IUPAC3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole
SMILESCc1cc(-c2cccs2)n(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N2S/c1-6-5-7(8-3-2-4-15-8)14(13-6)9(10,11)12/h2-5H,1H3
InChIKeyBJKLUZUKJFJNRT-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.40
Rot. Bonds1

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

3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole (PubChem CID 140579526) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole
PubChem CID140579526
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole
SMILESCc1cc(-c2cccs2)n(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N2S/c1-6-5-7(8-3-2-4-15-8)14(13-6)9(10,11)12/h2-5H,1H3
InChIKeyBJKLUZUKJFJNRT-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
CID 612732
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
5-[1-Methyl-5-(Trifluoromethyl)-1H-Pyrazol-3-Yl]Thiophene-2-Sulfonyl Chloride
CID 2775671
Methyl 4-phenyldiazenyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339361
4-Bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 2819997
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbaldehyde thiosemicarbazone
CID 11067581
1-Methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155893904
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162644500
1-Methyl-4-nitroso-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 162673476
5-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]thiophene-2-sulfonyl chloride
CID 2775673
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
The IUPAC name of 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole (CID 140579526) is 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole is Cc1cc(-c2cccs2)n(C(F)(F)F)n1.
What is the InChIKey of 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
The InChIKey is BJKLUZUKJFJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-6-5-7(8-3-2-4-15-8)14(13-6)9(10,11)12/h2-5H,1H3.
What are the key properties of 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole has a molecular weight of 232.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 140579526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).