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

C12H12BrN3O2 — CID 47466003

IUPAC4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H12BrN3O2/c1-16-9(4-5-15-16)7-14-12(18)10-3-2-8(13)6-11(10)17/h2-6,17H,7H2,1H3,(H,14,18)
InChIKeyFIMMSDDHCBCGLP-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.82
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 47466003) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID47466003
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H12BrN3O2/c1-16-9(4-5-15-16)7-14-12(18)10-3-2-8(13)6-11(10)17/h2-6,17H,7H2,1H3,(H,14,18)
InChIKeyFIMMSDDHCBCGLP-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

5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
2-bromo-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302524
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624610
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 47466003) is 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is FIMMSDDHCBCGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-16-9(4-5-15-16)7-14-12(18)10-3-2-8(13)6-11(10)17/h2-6,17H,7H2,1H3,(H,14,18).
What are the key properties of 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
4-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 4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 47466003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).