(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide

C16H22N4O — CID 120606517

IUPAC(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
SMILESCc1ccccc1-c1cc(NC(=O)[C@@H](N)C(C)C)n(C)n1
InChIInChI=1S/C16H22N4O/c1-10(2)15(17)16(21)18-14-9-13(19-20(14)4)12-8-6-5-7-11(12)3/h5-10,15H,17H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyVWRSXKMBJKFFCH-HNNXBMFYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide

(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide (PubChem CID 120606517) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
PubChem CID120606517
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
SMILESCc1ccccc1-c1cc(NC(=O)[C@@H](N)C(C)C)n(C)n1
InChIInChI=1S/C16H22N4O/c1-10(2)15(17)16(21)18-14-9-13(19-20(14)4)12-8-6-5-7-11(12)3/h5-10,15H,17H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyVWRSXKMBJKFFCH-HNNXBMFYSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxy-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 96521758
3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
CID 119813507
3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 119340679
N-[1-[[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 167797494
1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
CID 95935310
N'-[2-(dimethylamino)pyrimidin-5-yl]-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]oxamide
CID 122149755
4,4-difluoro-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954872
ethyl 2-[[3-(2-chlorophenyl)-1-methylpyrazol-5-yl]amino]-3-methylbutanoate
CID 134116957
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411
1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
CID 99817337
1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95282305
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide (CID 120606517) is (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide is Cc1ccccc1-c1cc(NC(=O)[C@@H](N)C(C)C)n(C)n1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
The InChIKey is VWRSXKMBJKFFCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)15(17)16(21)18-14-9-13(19-20(14)4)12-8-6-5-7-11(12)3/h5-10,15H,17H2,1-4H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide?
(2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide is sourced from PubChem (CID 120606517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).