(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

C15H20N4O2 — CID 61180784

IUPAC(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)13(16)14(21)17-10-6-4-9(5-7-10)11-8-12(20)19-18-11/h4-8,13H,16H2,1-3H3,(H,17,21)(H2,18,19,20)/t13-/m1/s1
InChIKeyZOVCQPIZIZYTBE-CYBMUJFWSA-N
MW288.35 g/mol
LogP1.68
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (PubChem CID 61180784) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
PubChem CID61180784
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)13(16)14(21)17-10-6-4-9(5-7-10)11-8-12(20)19-18-11/h4-8,13H,16H2,1-3H3,(H,17,21)(H2,18,19,20)/t13-/m1/s1
InChIKeyZOVCQPIZIZYTBE-CYBMUJFWSA-N
XLogP1.68
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 80543463
3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 115426240
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 43706888
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
CID 82013599
2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]acetamide
CID 166389492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (CID 61180784) is (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The InChIKey is ZOVCQPIZIZYTBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)13(16)14(21)17-10-6-4-9(5-7-10)11-8-12(20)19-18-11/h4-8,13H,16H2,1-3H3,(H,17,21)(H2,18,19,20)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide has a molecular weight of 288.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 61180784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).