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

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).