N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide

C17H23N3O2 — CID 110025212

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
SMILESCCC(C)n1nccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-4-13(2)20-15(10-11-18-20)19-16(21)12-17(3,22)14-8-6-5-7-9-14/h5-11,13,22H,4,12H2,1-3H3,(H,19,21)
InChIKeyGUAMVGPJRWTXKK-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.09
Rot. Bonds6

About N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide

N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110025212) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
PubChem CID110025212
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
SMILESCCC(C)n1nccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-4-13(2)20-15(10-11-18-20)19-16(21)12-17(3,22)14-8-6-5-7-9-14/h5-11,13,22H,4,12H2,1-3H3,(H,19,21)
InChIKeyGUAMVGPJRWTXKK-UHFFFAOYSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 78778329
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
1-(2-butan-2-ylpyrazol-3-yl)-3-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]urea
CID 167792435
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 78840816
2-amino-N-[2-(3,3-dimethylbutan-2-yl)pyrazol-3-yl]acetamide
CID 121209387
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
CID 95615142
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 2540976
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 110024954
3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
CID 110024955

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide (CID 110025212) is N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide is CCC(C)n1nccc1NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is GUAMVGPJRWTXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-13(2)20-15(10-11-18-20)19-16(21)12-17(3,22)14-8-6-5-7-9-14/h5-11,13,22H,4,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide?
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).