2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide

C14H20F3N3O2 — CID 19575574

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C14H20F3N3O2/c1-8-7-12(14(15,16)17)19-20(8)10(3)13(21)18-9(2)11-5-4-6-22-11/h7,9-11H,4-6H2,1-3H3,(H,18,21)
InChIKeyDWQMVSHDJCVAEK-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.46
Rot. Bonds4

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide (PubChem CID 19575574) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide
PubChem CID19575574
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C14H20F3N3O2/c1-8-7-12(14(15,16)17)19-20(8)10(3)13(21)18-9(2)11-5-4-6-22-11/h7,9-11H,4-6H2,1-3H3,(H,18,21)
InChIKeyDWQMVSHDJCVAEK-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 40622218
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
(2S)-N-(4-methylcyclohexyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 51390590
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4770930
N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 56725382
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534867
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19534633
(2S)-1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 51390470
6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 43067379
1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-[1-(oxolan-2-yl)ethyl]urea
CID 47253043

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide (CID 19575574) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)NC(C)C1CCCO1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is DWQMVSHDJCVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-8-7-12(14(15,16)17)19-20(8)10(3)13(21)18-9(2)11-5-4-6-22-11/h7,9-11H,4-6H2,1-3H3,(H,18,21).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 319.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 19575574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).