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

C12H12IN3O — CID 19329144

IUPAC2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2ccccc2I)n1
InChIInChI=1S/C12H12IN3O/c1-16-7-6-9(15-16)8-14-12(17)10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,17)
InChIKeyHOJODALIXMBGCA-UHFFFAOYSA-N
MW341.15 g/mol
LogP1.95
Rot. Bonds3

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

2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19329144) has the molecular formula C12H12IN3O and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19329144
Molecular FormulaC12H12IN3O
Molecular Weight341.15 g/mol
Exact Mass341.00
IUPAC Name2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2ccccc2I)n1
InChIInChI=1S/C12H12IN3O/c1-16-7-6-9(15-16)8-14-12(17)10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,17)
InChIKeyHOJODALIXMBGCA-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452041
2-hydroxy-5-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103877808
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82875128
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 82873476
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
CID 82874679
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19329144) is 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2ccccc2I)n1.
What is the InChIKey of 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is HOJODALIXMBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O/c1-16-7-6-9(15-16)8-14-12(17)10-4-2-3-5-11(10)13/h2-7H,8H2,1H3,(H,14,17).
What are the key properties of 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 341.15 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19329144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).