4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole

C12H11F3N2S — CID 174393856

IUPAC4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCSc1nn(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C12H11F3N2S/c1-8-7-17(16-11(8)18-2)10-5-3-9(4-6-10)12(13,14)15/h3-7H,1-2H3
InChIKeyJLHMFRNACIKPOP-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.92
Rot. Bonds2

About 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole

4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 174393856) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID174393856
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCSc1nn(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C12H11F3N2S/c1-8-7-17(16-11(8)18-2)10-5-3-9(4-6-10)12(13,14)15/h3-7H,1-2H3
InChIKeyJLHMFRNACIKPOP-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 122451400
3-(difluoromethyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 134203398
4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 132586087
2-[4-(trifluoromethyl)phenyl]indazole
CID 1214779
3-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 118614458
[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 58733868
1-methoxy-4-methyl-2-[4-(trifluoromethyl)phenyl]triazol-1-ium
CID 90111333
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174415280
3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 176921516
4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
CID 56951008
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 131896163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 174393856) is 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole is CSc1nn(-c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is JLHMFRNACIKPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-8-7-17(16-11(8)18-2)10-5-3-9(4-6-10)12(13,14)15/h3-7H,1-2H3.
What are the key properties of 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 272.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 174393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).