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

C16H21N3O2 — CID 93033990

IUPACN-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-11-14(12(2)19(3)18-11)9-16(21)17-10-15(20)13-7-5-4-6-8-13/h4-8,15,20H,9-10H2,1-3H3,(H,17,21)/t15-/m1/s1
InChIKeyMTKIHZULHLYQHI-OAHLLOKOSA-N
MW287.36 g/mol
LogP1.43
Rot. Bonds5

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

N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 93033990) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID93033990
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC[C@@H](O)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-11-14(12(2)19(3)18-11)9-16(21)17-10-15(20)13-7-5-4-6-8-13/h4-8,15,20H,9-10H2,1-3H3,(H,17,21)/t15-/m1/s1
InChIKeyMTKIHZULHLYQHI-OAHLLOKOSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51103832
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110027918
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46449260
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 94815907
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]acetamide
CID 163307933
1-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065175

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 93033990) is N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NC[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MTKIHZULHLYQHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-14(12(2)19(3)18-11)9-16(21)17-10-15(20)13-7-5-4-6-8-13/h4-8,15,20H,9-10H2,1-3H3,(H,17,21)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 93033990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).