N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H19N3O3 — CID 110001567

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-10-14(11(2)19(3)18-10)15(21)16(22)17-13(9-20)12-7-5-4-6-8-12/h4-8,13,20H,9H2,1-3H3,(H,17,22)/t13-/m1/s1
InChIKeyUEORLAPFRGEBHQ-CYBMUJFWSA-N
MW301.35 g/mol
LogP1.07
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 110001567) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID110001567
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-10-14(11(2)19(3)18-10)15(21)16(22)17-13(9-20)12-7-5-4-6-8-12/h4-8,13,20H,9H2,1-3H3,(H,17,22)/t13-/m1/s1
InChIKeyUEORLAPFRGEBHQ-CYBMUJFWSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
N-[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52621902
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 124872713
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134015996
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 75381923
5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
CID 110001623
1,3,5-trimethyl-N-[(2S)-4-oxo-4-phenylbutan-2-yl]pyrazole-4-carboxamide
CID 97065090
2-phenyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 79231907
N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52554768

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 110001567) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is UEORLAPFRGEBHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-14(11(2)19(3)18-10)15(21)16(22)17-13(9-20)12-7-5-4-6-8-12/h4-8,13,20H,9H2,1-3H3,(H,17,22)/t13-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 110001567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).