(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide

C15H20N4O — CID 61177988

IUPAC(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,3)13(16)14(20)18-11-5-7-12(8-6-11)19-10-4-9-17-19/h4-10,13H,16H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyLYWLNJVFBQVAAD-CYBMUJFWSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide (PubChem CID 61177988) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
PubChem CID61177988
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H20N4O/c1-15(2,3)13(16)14(20)18-11-5-7-12(8-6-11)19-10-4-9-17-19/h4-10,13H,16H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyLYWLNJVFBQVAAD-CYBMUJFWSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
3-amino-4-oxo-4-(4-pyrazol-1-ylanilino)butanoic acid
CID 64895291
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 61178236
2-amino-3,3-dimethyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]butanamide
CID 76888014
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide (CID 61177988) is (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide?
The InChIKey is LYWLNJVFBQVAAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)13(16)14(20)18-11-5-7-12(8-6-11)19-10-4-9-17-19/h4-10,13H,16H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 61177988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).