2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C13H19F3N4O2 — CID 71979170

IUPAC2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H19F3N4O2/c1-12(2,3)11(22)18-9-5-17-20(6-9)7-10(21)19(4)8-13(14,15)16/h5-6H,7-8H2,1-4H3,(H,18,22)
InChIKeyXIDDHWXJRQJIFQ-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.89
Rot. Bonds4

About 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 71979170) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID71979170
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C13H19F3N4O2/c1-12(2,3)11(22)18-9-5-17-20(6-9)7-10(21)19(4)8-13(14,15)16/h5-6H,7-8H2,1-4H3,(H,18,22)
InChIKeyXIDDHWXJRQJIFQ-UHFFFAOYSA-N
XLogP1.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide 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 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 71979170) is 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is CN(CC(F)(F)F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is XIDDHWXJRQJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-12(2,3)11(22)18-9-5-17-20(6-9)7-10(21)19(4)8-13(14,15)16/h5-6H,7-8H2,1-4H3,(H,18,22).
What are the key properties of 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 320.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 71979170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).