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

C12H12BrN3O2 — CID 103857031

IUPAC5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)c1cn[nH]c1
InChIInChI=1S/C12H12BrN3O2/c1-7(8-5-14-15-6-8)16-12(18)10-4-9(13)2-3-11(10)17/h2-7,17H,1H3,(H,14,15)(H,16,18)
InChIKeyMOOHCRGVJDUXQX-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103857031) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103857031
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)c1cn[nH]c1
InChIInChI=1S/C12H12BrN3O2/c1-7(8-5-14-15-6-8)16-12(18)10-4-9(13)2-3-11(10)17/h2-7,17H,1H3,(H,14,15)(H,16,18)
InChIKeyMOOHCRGVJDUXQX-UHFFFAOYSA-N
XLogP2.37
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103604669
4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856688
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103857031) is 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1cc(Br)ccc1O)c1cn[nH]c1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is MOOHCRGVJDUXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7(8-5-14-15-6-8)16-12(18)10-4-9(13)2-3-11(10)17/h2-7,17H,1H3,(H,14,15)(H,16,18).
What are the key properties of 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 310.15 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103857031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).