1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine

C9H14F3N3O — CID 178139816

IUPAC1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine
SMILESCOc1cc(C(F)(F)F)nn1CC(C)(C)N
InChIInChI=1S/C9H14F3N3O/c1-8(2,13)5-15-7(16-3)4-6(14-15)9(10,11)12/h4H,5,13H2,1-3H3
InChIKeyKMMWAIXINSTSMF-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.65
Rot. Bonds3

About 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine

1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine (PubChem CID 178139816) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine
PubChem CID178139816
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine
SMILESCOc1cc(C(F)(F)F)nn1CC(C)(C)N
InChIInChI=1S/C9H14F3N3O/c1-8(2,13)5-15-7(16-3)4-6(14-15)9(10,11)12/h4H,5,13H2,1-3H3
InChIKeyKMMWAIXINSTSMF-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine (CID 178139816) is 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine is COc1cc(C(F)(F)F)nn1CC(C)(C)N.
What is the InChIKey of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine?
The InChIKey is KMMWAIXINSTSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-8(2,13)5-15-7(16-3)4-6(14-15)9(10,11)12/h4H,5,13H2,1-3H3.
What are the key properties of 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine?
1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine has a molecular weight of 237.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 178139816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).