5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole

C9H7F3N2S — CID 125457809

IUPAC5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(-c2cccs2)c1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-5-7(9(10,11)12)8(14-13-5)6-3-2-4-15-6/h2-4H,1H3,(H,13,14)
InChIKeyMLLLXSNYKIFXTR-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.47
Rot. Bonds1

About 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole

5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 125457809) has the molecular formula C9H7F3N2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID125457809
Molecular FormulaC9H7F3N2S
Molecular Weight232.23 g/mol
Exact Mass232.03
IUPAC Name5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(-c2cccs2)c1C(F)(F)F
InChIInChI=1S/C9H7F3N2S/c1-5-7(9(10,11)12)8(14-13-5)6-3-2-4-15-6/h2-4H,1H3,(H,13,14)
InChIKeyMLLLXSNYKIFXTR-UHFFFAOYSA-N
XLogP3.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine
CID 163268312
3-(4-bromophenyl)-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125455921
(4-methyl-3-thiophen-2-yl-1H-pyrazol-5-yl)boronic acid
CID 67126930
(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 121212364
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
4-(bromomethyl)-5-ethyl-3-thiophen-2-yl-1H-pyrazole
CID 121211408
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
3-tert-butyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 160726622
5-thiophen-2-yl-2H-triazol-4-amine
CID 54057272
2-methyl-N-[(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 63926564
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 103310053
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole (CID 125457809) is 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole is Cc1[nH]nc(-c2cccs2)c1C(F)(F)F.
What is the InChIKey of 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is MLLLXSNYKIFXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2S/c1-5-7(9(10,11)12)8(14-13-5)6-3-2-4-15-6/h2-4H,1H3,(H,13,14).
What are the key properties of 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole?
5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 232.23 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 125457809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).