2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C12H12IN3O2 — CID 103877808

IUPAC2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(I)ccc2O)n1
InChIInChI=1S/C12H12IN3O2/c1-16-5-4-9(15-16)7-14-12(18)10-6-8(13)2-3-11(10)17/h2-6,17H,7H2,1H3,(H,14,18)
InChIKeyJAZOPRAFTLCGEV-UHFFFAOYSA-N
MW357.15 g/mol
LogP1.66
Rot. Bonds3

About 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide

2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 103877808) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID103877808
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Name2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(I)ccc2O)n1
InChIInChI=1S/C12H12IN3O2/c1-16-5-4-9(15-16)7-14-12(18)10-6-8(13)2-3-11(10)17/h2-6,17H,7H2,1H3,(H,14,18)
InChIKeyJAZOPRAFTLCGEV-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 103713370
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103725448
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385091

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 103877808) is 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2cc(I)ccc2O)n1.
What is the InChIKey of 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is JAZOPRAFTLCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-16-5-4-9(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 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 357.15 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 103877808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).