N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide

C15H19N3O2 — CID 91638874

IUPACN-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NC(CO)c1ccccc1
InChIInChI=1S/C15H19N3O2/c19-12-14(13-6-2-1-3-7-13)17-15(20)8-4-10-18-11-5-9-16-18/h1-3,5-7,9,11,14,19H,4,8,10,12H2,(H,17,20)
InChIKeyAXPHWRYFSYZOGX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.51
Rot. Bonds7

About N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide

N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide (PubChem CID 91638874) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
PubChem CID91638874
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NC(CO)c1ccccc1
InChIInChI=1S/C15H19N3O2/c19-12-14(13-6-2-1-3-7-13)17-15(20)8-4-10-18-11-5-9-16-18/h1-3,5-7,9,11,14,19H,4,8,10,12H2,(H,17,20)
InChIKeyAXPHWRYFSYZOGX-UHFFFAOYSA-N
XLogP1.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
CID 110204372
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide (CID 91638874) is N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide?
The InChIKey is AXPHWRYFSYZOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-12-14(13-6-2-1-3-7-13)17-15(20)8-4-10-18-11-5-9-16-18/h1-3,5-7,9,11,14,19H,4,8,10,12H2,(H,17,20).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide?
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide has a molecular weight of 273.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 91638874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).