3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine

C13H14F3N3O — CID 118171215

IUPAC3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCc1nn(Cc2ccccc2OC(F)(F)F)c(C)c1N
InChIInChI=1S/C13H14F3N3O/c1-8-12(17)9(2)19(18-8)7-10-5-3-4-6-11(10)20-13(14,15)16/h3-6H,7,17H2,1-2H3
InChIKeyOWHFBRKYOJGBOH-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.03
Rot. Bonds3

About 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine

3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (PubChem CID 118171215) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
PubChem CID118171215
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine
SMILESCc1nn(Cc2ccccc2OC(F)(F)F)c(C)c1N
InChIInChI=1S/C13H14F3N3O/c1-8-12(17)9(2)19(18-8)7-10-5-3-4-6-11(10)20-13(14,15)16/h3-6H,7,17H2,1-2H3
InChIKeyOWHFBRKYOJGBOH-UHFFFAOYSA-N
XLogP3.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine (CID 118171215) is 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is Cc1nn(Cc2ccccc2OC(F)(F)F)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
The InChIKey is OWHFBRKYOJGBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-12(17)9(2)19(18-8)7-10-5-3-4-6-11(10)20-13(14,15)16/h3-6H,7,17H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine?
3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine has a molecular weight of 285.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 118171215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).