N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C17H22N4O2 — CID 70758757

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)n(C)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)9-13-10-14(21(3)20-13)17(23)19-15(16(18)22)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H2,18,22)(H,19,23)/t15-/m0/s1
InChIKeyXHLMSJWERGBQCB-HNNXBMFYSA-N
MW314.39 g/mol
LogP1.58
Rot. Bonds6

About N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70758757) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70758757
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)n(C)n1
InChIInChI=1S/C17H22N4O2/c1-11(2)9-13-10-14(21(3)20-13)17(23)19-15(16(18)22)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H2,18,22)(H,19,23)/t15-/m0/s1
InChIKeyXHLMSJWERGBQCB-HNNXBMFYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

methyl 2-[[3-(aminomethyl)-1-methylpyrazole-5-carbonyl]amino]-2-(4-propan-2-ylphenyl)acetate
CID 167878311
1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113329
1-methyl-3-(2-methylpropyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113328
(E)-5,5-dimethyl-2-[[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]hex-3-enoic acid
CID 168911993
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 94035417
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70752326
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylimidazole-4-carboxamide
CID 103510985
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70758757) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)n(C)n1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is XHLMSJWERGBQCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)9-13-10-14(21(3)20-13)17(23)19-15(16(18)22)12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H2,18,22)(H,19,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70758757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).