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

C10H9F3N2S — CID 116861982

IUPAC1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccsc1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H9F3N2S/c1-6-3-4-16-9(6)7-5-8(10(11,12)13)14-15(7)2/h3-5H,1-2H3
InChIKeyBQNIICDTXBWQCB-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.48
Rot. Bonds1

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

1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 116861982) has the molecular formula C10H9F3N2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID116861982
Molecular FormulaC10H9F3N2S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccsc1-c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C10H9F3N2S/c1-6-3-4-16-9(6)7-5-8(10(11,12)13)14-15(7)2/h3-5H,1-2H3
InChIKeyBQNIICDTXBWQCB-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole
CID 116856837
1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole
CID 67260246
4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
CID 167829328
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 69087337
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861950
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
CID 136967042
4-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
CID 66778943
ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 178058226
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 155293864
5-cyclopenta-1,3-dien-1-yl-1-methyl-3-(trifluoromethyl)pyrazole
CID 91271091

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole (CID 116861982) is 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is Cc1ccsc1-c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is BQNIICDTXBWQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S/c1-6-3-4-16-9(6)7-5-8(10(11,12)13)14-15(7)2/h3-5H,1-2H3.
What are the key properties of 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole?
1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 246.26 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116861982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).