1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one

C13H15F3N4O — CID 178058424

IUPAC1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
SMILESCC(C)(N)Cn1nc(C(F)(F)F)cc1-n1ccccc1=O
InChIInChI=1S/C13H15F3N4O/c1-12(2,17)8-20-10(7-9(18-20)13(14,15)16)19-6-4-3-5-11(19)21/h3-7H,8,17H2,1-2H3
InChIKeyORPZQNNAPQTXBT-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one

1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one (PubChem CID 178058424) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
PubChem CID178058424
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
SMILESCC(C)(N)Cn1nc(C(F)(F)F)cc1-n1ccccc1=O
InChIInChI=1S/C13H15F3N4O/c1-12(2,17)8-20-10(7-9(18-20)13(14,15)16)19-6-4-3-5-11(19)21/h3-7H,8,17H2,1-2H3
InChIKeyORPZQNNAPQTXBT-UHFFFAOYSA-N
XLogP1.79
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one 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-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The IUPAC name of 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one (CID 178058424) is 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one is CC(C)(N)Cn1nc(C(F)(F)F)cc1-n1ccccc1=O.
What is the InChIKey of 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
The InChIKey is ORPZQNNAPQTXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-12(2,17)8-20-10(7-9(18-20)13(14,15)16)19-6-4-3-5-11(19)21/h3-7H,8,17H2,1-2H3.
What are the key properties of 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one?
1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one has a molecular weight of 300.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-2-methylpropyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one is sourced from PubChem (CID 178058424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).