2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C12H13N3O2 — CID 103857029

IUPAC2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1O)c1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c1-8(9-6-13-14-7-9)15-12(17)10-4-2-3-5-11(10)16/h2-8,16H,1H3,(H,13,14)(H,15,17)
InChIKeyZUYKXMKJTLYNAC-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.61
Rot. Bonds3

About 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103857029) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103857029
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1O)c1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c1-8(9-6-13-14-7-9)15-12(17)10-4-2-3-5-11(10)16/h2-8,16H,1H3,(H,13,14)(H,15,17)
InChIKeyZUYKXMKJTLYNAC-UHFFFAOYSA-N
XLogP1.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
3-methyl-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856189
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103857029) is 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1O)c1cn[nH]c1.
What is the InChIKey of 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is ZUYKXMKJTLYNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(9-6-13-14-7-9)15-12(17)10-4-2-3-5-11(10)16/h2-8,16H,1H3,(H,13,14)(H,15,17).
What are the key properties of 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 231.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103857029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).