N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

C17H22N4O2 — CID 125143866

IUPACN-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)21-10-9-14(20-21)17(23)19-15(16(18)22)12(3)13-7-5-4-6-8-13/h4-12,15H,1-3H3,(H2,18,22)(H,19,23)/t12-,15-/m0/s1
InChIKeyJDDLGRHQSVOMIL-WFASDCNBSA-N
MW314.39 g/mol
LogP1.85
Rot. Bonds6

About N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 125143866) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID125143866
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)21-10-9-14(20-21)17(23)19-15(16(18)22)12(3)13-7-5-4-6-8-13/h4-12,15H,1-3H3,(H2,18,22)(H,19,23)/t12-,15-/m0/s1
InChIKeyJDDLGRHQSVOMIL-WFASDCNBSA-N
XLogP1.85
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119367836
propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
CID 122151920
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 167915612
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 95979997
N-[(2S,3R)-3-hydroxy-1-oxo-1-(prop-2-ynylamino)butan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119074079
3-(4-fluorophenyl)-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119169568
1-(1-propan-2-ylpyrazol-3-yl)ethenol
CID 170024820
2-benzyl-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119233443
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate
CID 106676949
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide (CID 125143866) is N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is JDDLGRHQSVOMIL-WFASDCNBSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)21-10-9-14(20-21)17(23)19-15(16(18)22)12(3)13-7-5-4-6-8-13/h4-12,15H,1-3H3,(H2,18,22)(H,19,23)/t12-,15-/m0/s1.
What are the key properties of N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 125143866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).