2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide

C10H14F3N3O — CID 110278355

IUPAC2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
SMILESCCC(C)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O/c1-3-7(2)9(17)15-8-4-14-16(5-8)6-10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,15,17)
InChIKeyKSCKHJSUINFQKO-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.43
Rot. Bonds4

About 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide

2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide (PubChem CID 110278355) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
PubChem CID110278355
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
SMILESCCC(C)C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C10H14F3N3O/c1-3-7(2)9(17)15-8-4-14-16(5-8)6-10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,15,17)
InChIKeyKSCKHJSUINFQKO-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119796068
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 97226410
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278322
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278313
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 95741259
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide (CID 110278355) is 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide is CCC(C)C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The InChIKey is KSCKHJSUINFQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-7(2)9(17)15-8-4-14-16(5-8)6-10(11,12)13/h4-5,7H,3,6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide has a molecular weight of 249.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 110278355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).