N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide

C19H20N6O3 — CID 164775131

IUPACN-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1cnccn1
InChIInChI=1S/C19H20N6O3/c1-25-16(15-11-21-7-8-22-15)13(10-23-25)19(28)24-14(17(26)18(20)27)9-12-5-3-2-4-6-12/h2-8,10-11,14,17,26H,9H2,1H3,(H2,20,27)(H,24,28)/t14-,17?/m0/s1
InChIKeyLMIRTOLFMYLUMC-MBIQTGHCSA-N
MW380.41 g/mol
LogP0.06
Rot. Bonds7

About N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide

N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide (PubChem CID 164775131) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide
PubChem CID164775131
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1cnccn1
InChIInChI=1S/C19H20N6O3/c1-25-16(15-11-21-7-8-22-15)13(10-23-25)19(28)24-14(17(26)18(20)27)9-12-5-3-2-4-6-12/h2-8,10-11,14,17,26H,9H2,1H3,(H2,20,27)(H,24,28)/t14-,17?/m0/s1
InChIKeyLMIRTOLFMYLUMC-MBIQTGHCSA-N
XLogP0.06
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;pyridin-3-ylboronic acid
CID 167587318
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-bromo-1-methylpyrazole-4-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;palladium;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane)
CID 159912137
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
N-(4-amino-3,4-dioxo-1-pyridin-2-ylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide
CID 153484047
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 134396791
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(1-benzothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 153484023
5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane
CID 153385393
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
CID 11733202
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
CID 153386321

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide (CID 164775131) is N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1cnccn1.
What is the InChIKey of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide?
The InChIKey is LMIRTOLFMYLUMC-MBIQTGHCSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-25-16(15-11-21-7-8-22-15)13(10-23-25)19(28)24-14(17(26)18(20)27)9-12-5-3-2-4-6-12/h2-8,10-11,14,17,26H,9H2,1H3,(H2,20,27)(H,24,28)/t14-,17?/m0/s1.
What are the key properties of N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide?
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164775131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).