5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C12H12BrN3O2 — CID 36886831

IUPAC5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H12BrN3O2/c1-16-9(4-5-15-16)7-14-12(18)10-6-8(13)2-3-11(10)17/h2-6,17H,7H2,1H3,(H,14,18)
InChIKeyMAKDPUXYPKSWHG-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.82
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 36886831) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID36886831
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H12BrN3O2/c1-16-9(4-5-15-16)7-14-12(18)10-6-8(13)2-3-11(10)17/h2-6,17H,7H2,1H3,(H,14,18)
InChIKeyMAKDPUXYPKSWHG-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 47466003
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 107723981
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
2-bromo-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302524
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 36886831) is 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is MAKDPUXYPKSWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-16-9(4-5-15-16)7-14-12(18)10-6-8(13)2-3-11(10)17/h2-6,17H,7H2,1H3,(H,14,18).
What are the key properties of 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 310.15 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 36886831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).