2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide

C15H17F3N4O — CID 119303298

IUPAC2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O/c1-9(2)13(19)14(23)21-10-3-5-11(6-4-10)22-12(7-8-20-22)15(16,17)18/h3-9,13H,19H2,1-2H3,(H,21,23)
InChIKeyOYKIZZPSJCWEAL-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide

2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide (PubChem CID 119303298) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
PubChem CID119303298
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O/c1-9(2)13(19)14(23)21-10-3-5-11(6-4-10)22-12(7-8-20-22)15(16,17)18/h3-9,13H,19H2,1-2H3,(H,21,23)
InChIKeyOYKIZZPSJCWEAL-UHFFFAOYSA-N
XLogP2.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
CID 119748794
(2S)-2-amino-3-methyl-N-[4-(triazol-2-yl)phenyl]butanamide
CID 61154782
4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303302
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
CID 122077598
(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120625531
2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 119748787
(2S)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-2-carboxamide
CID 119748779
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 60575970
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide (CID 119303298) is 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide is CC(C)C(N)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
The InChIKey is OYKIZZPSJCWEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9(2)13(19)14(23)21-10-3-5-11(6-4-10)22-12(7-8-20-22)15(16,17)18/h3-9,13H,19H2,1-2H3,(H,21,23).
What are the key properties of 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide?
2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide has a molecular weight of 326.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide is sourced from PubChem (CID 119303298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).