2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide

C12H18F3N3O — CID 90588535

IUPAC2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-9(4-2)11(19)16-6-8-18-7-5-10(17-18)12(13,14)15/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeySRRXPCJZEJRHHT-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.45
Rot. Bonds6

About 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide

2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide (PubChem CID 90588535) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
PubChem CID90588535
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O/c1-3-9(4-2)11(19)16-6-8-18-7-5-10(17-18)12(13,14)15/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeySRRXPCJZEJRHHT-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide 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

2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 71808023
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
CID 71808079
5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 71808014
4-nitro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588590

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide (CID 90588535) is 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide is CCC(CC)C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide?
The InChIKey is SRRXPCJZEJRHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-9(4-2)11(19)16-6-8-18-7-5-10(17-18)12(13,14)15/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,19).
What are the key properties of 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide?
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide has a molecular weight of 277.29 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide is sourced from PubChem (CID 90588535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).