(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide

C16H22N4O — CID 134696339

IUPAC(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide
SMILESCCCCn1nc(C)cc1NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-4-10-20-14(11-12(2)19-20)18-16(21)15(17)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,17H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyAGSGENABMLBSRY-HNNXBMFYSA-N
MW286.38 g/mol
LogP2.63
Rot. Bonds6

About (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide

(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide (PubChem CID 134696339) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide
PubChem CID134696339
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide
SMILESCCCCn1nc(C)cc1NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-4-10-20-14(11-12(2)19-20)18-16(21)15(17)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,17H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyAGSGENABMLBSRY-HNNXBMFYSA-N
XLogP2.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 72857286
2-butyl-5-methyl-N-propan-2-ylpyrazol-3-amine
CID 176584834
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154914443
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
2-amino-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 24701080
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
2-amino-N-ethyl-2-phenylacetamide
CID 22262703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide (CID 134696339) is (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide is CCCCn1nc(C)cc1NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide?
The InChIKey is AGSGENABMLBSRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-4-10-20-14(11-12(2)19-20)18-16(21)15(17)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,17H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide?
(2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-butyl-5-methylpyrazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 134696339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).