[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine

C13H14F3N3O — CID 117123519

IUPAC[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-8-9(7-17)12(20-2)19(18-8)11-6-4-3-5-10(11)13(14,15)16/h3-6H,7,17H2,1-2H3
InChIKeyWUMUZLVSSNGNDT-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.67
Rot. Bonds3

About [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine

[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine (PubChem CID 117123519) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
PubChem CID117123519
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-8-9(7-17)12(20-2)19(18-8)11-6-4-3-5-10(11)13(14,15)16/h3-6H,7,17H2,1-2H3
InChIKeyWUMUZLVSSNGNDT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-ethyl-5-methoxy-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
CID 117123473
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine
CID 117123555
3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 82592652
[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
The IUPAC name of [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine (CID 117123519) is [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine is COc1c(CN)c(C)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
The InChIKey is WUMUZLVSSNGNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-9(7-17)12(20-2)19(18-8)11-6-4-3-5-10(11)13(14,15)16/h3-6H,7,17H2,1-2H3.
What are the key properties of [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine?
[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine has a molecular weight of 285.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 117123519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).