N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide

C19H19N3O2 — CID 110001285

IUPACN-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C19H19N3O2/c23-14-18(16-5-2-1-3-6-16)21-19(24)17-9-7-15(8-10-17)13-22-12-4-11-20-22/h1-12,18,23H,13-14H2,(H,21,24)
InChIKeyGOHGZLWKTAYMLD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.39
Rot. Bonds6

About N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 110001285) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID110001285
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C19H19N3O2/c23-14-18(16-5-2-1-3-6-16)21-19(24)17-9-7-15(8-10-17)13-22-12-4-11-20-22/h1-12,18,23H,13-14H2,(H,21,24)
InChIKeyGOHGZLWKTAYMLD-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylbut-3-ynyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 71908993
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86963245
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 110001285) is N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide is O=C(NC(CO)c1ccccc1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is GOHGZLWKTAYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-14-18(16-5-2-1-3-6-16)21-19(24)17-9-7-15(8-10-17)13-22-12-4-11-20-22/h1-12,18,23H,13-14H2,(H,21,24).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.39, 6 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-ylmethyl)benzamide is sourced from PubChem (CID 110001285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).