(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide

C15H20N4O — CID 119753020

IUPAC(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-15(2,3)13(16)14(20)18-11-9-17-19(10-11)12-7-5-4-6-8-12/h4-10,13H,16H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyFBWPNSFSIKECIR-CYBMUJFWSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide (PubChem CID 119753020) 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-(1-phenylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
PubChem CID119753020
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-15(2,3)13(16)14(20)18-11-9-17-19(10-11)12-7-5-4-6-8-12/h4-10,13H,16H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyFBWPNSFSIKECIR-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

(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 120790126
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
CID 119329634
ethyl 2-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]pyrazol-1-yl]-2-methylpropanoate;hydrochloride
CID 119822675
2-methyl-2-[(1-phenylpyrazol-4-yl)amino]propan-1-ol
CID 82538414
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-phenylpyrazol-4-yl)urea
CID 111458969
N-[2-[(1-phenylpyrazol-4-yl)amino]ethyl]acetamide
CID 82539547
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide (CID 119753020) is (2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide is CC(C)(C)[C@H](N)C(=O)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide?
The InChIKey is FBWPNSFSIKECIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)13(16)14(20)18-11-9-17-19(10-11)12-7-5-4-6-8-12/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-(1-phenylpyrazol-4-yl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)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-(1-phenylpyrazol-4-yl)butanamide is sourced from PubChem (CID 119753020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).