N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide

C19H20N6O3 — CID 134396791

IUPACN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)n(-c2ncccn2)n1
InChIInChI=1S/C19H20N6O3/c1-12-10-15(25(24-12)19-21-8-5-9-22-19)18(28)23-14(16(26)17(20)27)11-13-6-3-2-4-7-13/h2-10,14,16,26H,11H2,1H3,(H2,20,27)(H,23,28)
InChIKeySTZMUBAOXQBFRP-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.16
Rot. Bonds7

About N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide

N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 134396791) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
PubChem CID134396791
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)n(-c2ncccn2)n1
InChIInChI=1S/C19H20N6O3/c1-12-10-15(25(24-12)19-21-8-5-9-22-19)18(28)23-14(16(26)17(20)27)11-13-6-3-2-4-7-13/h2-10,14,16,26H,11H2,1H3,(H2,20,27)(H,23,28)
InChIKeySTZMUBAOXQBFRP-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
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]-2-[3-(2-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 153484147
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(4-bromophenyl)-5-methylpyrazole-3-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[4-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;(3-fluorophenyl)boronic acid
CID 160573922
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(3-bromophenyl)-5-methylpyrazole-3-carboxamide;N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;(4-fluorophenyl)boronic acid
CID 160616129
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
3-[(5-methyl-2-pyridin-2-ylpyrazole-3-carbonyl)amino]-2-oxo-4-phenylbutanoic acid
CID 153386087
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 142753634
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
CID 165387000
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[4-(phenylmethoxymethyl)phenyl]pyrazole-3-carboxamide
CID 142753807
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[(benzylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 134397170
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 142753794
N-(1-chloro-3-phenylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 114300362

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide (CID 134396791) is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)n(-c2ncccn2)n1.
What is the InChIKey of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?
The InChIKey is STZMUBAOXQBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12-10-15(25(24-12)19-21-8-5-9-22-19)18(28)23-14(16(26)17(20)27)11-13-6-3-2-4-7-13/h2-10,14,16,26H,11H2,1H3,(H2,20,27)(H,23,28).
What are the key properties of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 134396791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).