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

C8H9ClF3N3O — CID 166407431

IUPAC2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(CCl)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3O/c9-5-7(16)13-2-4-15-3-1-6(14-15)8(10,11)12/h1,3H,2,4-5H2,(H,13,16)
InChIKeyVLAUENBYQWDSNZ-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.26
Rot. Bonds4

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

2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 166407431) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID166407431
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(CCl)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3O/c9-5-7(16)13-2-4-15-3-1-6(14-15)8(10,11)12/h1,3H,2,4-5H2,(H,13,16)
InChIKeyVLAUENBYQWDSNZ-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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]benzamide
CID 90588569
2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588552
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 71808014
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588586
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 91939659
(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 71808009
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 166407431) is 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is O=C(CCl)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is VLAUENBYQWDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c9-5-7(16)13-2-4-15-3-1-6(14-15)8(10,11)12/h1,3H,2,4-5H2,(H,13,16).
What are the key properties of 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 255.63 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 166407431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).