3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole

C12H11F3N2O — CID 176921516

IUPAC3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1cn(-c2ccc(OC(F)(F)F)cc2)nc1C
InChIInChI=1S/C12H11F3N2O/c1-8-7-17(16-9(8)2)10-3-5-11(6-4-10)18-12(13,14)15/h3-7H,1-2H3
InChIKeyWILOLTQILLYUDX-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.39
Rot. Bonds2

About 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole

3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 176921516) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
PubChem CID176921516
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
SMILESCc1cn(-c2ccc(OC(F)(F)F)cc2)nc1C
InChIInChI=1S/C12H11F3N2O/c1-8-7-17(16-9(8)2)10-3-5-11(6-4-10)18-12(13,14)15/h3-7H,1-2H3
InChIKeyWILOLTQILLYUDX-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 130223137
ethyl 3-methoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
CID 66777939
4-(3,4-dimethylpyrazol-1-yl)benzenethiol
CID 143152522
1-(4-bromophenyl)-3-methyl-N'-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboximidamide
CID 155585880
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782
1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carbaldehyde
CID 126645592
3-(2-methoxyethoxy)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 130222893
[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl] 2,2,2-trifluoroacetate
CID 151572412
1-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
CID 24825087
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174415280
4-(3,4-dimethoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11667722
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole (CID 176921516) is 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole is Cc1cn(-c2ccc(OC(F)(F)F)cc2)nc1C.
What is the InChIKey of 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is WILOLTQILLYUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-7-17(16-9(8)2)10-3-5-11(6-4-10)18-12(13,14)15/h3-7H,1-2H3.
What are the key properties of 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole?
3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 256.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 176921516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).