3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide

C11H16F3N3O — CID 95741403

IUPAC3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
SMILESCC(C)(C)CC(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)4-9(18)16-8-5-15-17(6-8)7-11(12,13)14/h5-6H,4,7H2,1-3H3,(H,16,18)
InChIKeyHSUUTEBWNBAUFH-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.82
Rot. Bonds3

About 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide

3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide (PubChem CID 95741403) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
PubChem CID95741403
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
SMILESCC(C)(C)CC(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C11H16F3N3O/c1-10(2,3)4-9(18)16-8-5-15-17(6-8)7-11(12,13)14/h5-6H,4,7H2,1-3H3,(H,16,18)
InChIKeyHSUUTEBWNBAUFH-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741219
2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741112
2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119796068
2-chloro-N-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]acetamide
CID 97178848
3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 120611080
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 95741259

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide (CID 95741403) is 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide is CC(C)(C)CC(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
The InChIKey is HSUUTEBWNBAUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-10(2,3)4-9(18)16-8-5-15-17(6-8)7-11(12,13)14/h5-6H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide?
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide has a molecular weight of 263.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 95741403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).