N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide

C19H19N3O2 — CID 118663086

IUPACN-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cn[nH]c2)cc1CCO
InChIInChI=1S/C19H19N3O2/c23-9-8-16-10-15(17-12-21-22-13-17)6-7-18(16)19(24)20-11-14-4-2-1-3-5-14/h1-7,10,12-13,23H,8-9,11H2,(H,20,24)(H,21,22)
InChIKeyYYIHXHLZFADWFM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.54
Rot. Bonds6

About N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide

N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663086) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663086
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-c2cn[nH]c2)cc1CCO
InChIInChI=1S/C19H19N3O2/c23-9-8-16-10-15(17-12-21-22-13-17)6-7-18(16)19(24)20-11-14-4-2-1-3-5-14/h1-7,10,12-13,23H,8-9,11H2,(H,20,24)(H,21,22)
InChIKeyYYIHXHLZFADWFM-UHFFFAOYSA-N
XLogP2.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
CID 66854523
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
N-benzyl-4-methyl-2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 73213268
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
1-benzyl-3-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]urea
CID 45380658
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
N-benzyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
CID 135482219
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide (CID 118663086) is N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide is O=C(NCc1ccccc1)c1ccc(-c2cn[nH]c2)cc1CCO.
What is the InChIKey of N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is YYIHXHLZFADWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-9-8-16-10-15(17-12-21-22-13-17)6-7-18(16)19(24)20-11-14-4-2-1-3-5-14/h1-7,10,12-13,23H,8-9,11H2,(H,20,24)(H,21,22).
What are the key properties of N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide?
N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-hydroxyethyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).