3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C12H12IN3O2 — CID 113434699

IUPAC3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(I)c(O)c2)cn1
InChIInChI=1S/C12H12IN3O2/c1-16-7-8(6-15-16)5-14-12(18)9-2-3-10(13)11(17)4-9/h2-4,6-7,17H,5H2,1H3,(H,14,18)
InChIKeyUHZKCMQQPAQOKU-UHFFFAOYSA-N
MW357.15 g/mol
LogP1.66
Rot. Bonds3

About 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 113434699) has the molecular formula C12H12IN3O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID113434699
Molecular FormulaC12H12IN3O2
Molecular Weight357.15 g/mol
Exact Mass357.00
IUPAC Name3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(I)c(O)c2)cn1
InChIInChI=1S/C12H12IN3O2/c1-16-7-8(6-15-16)5-14-12(18)9-2-3-10(13)11(17)4-9/h2-4,6-7,17H,5H2,1H3,(H,14,18)
InChIKeyUHZKCMQQPAQOKU-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'}

Analyze 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-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

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 113434699) is 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2ccc(I)c(O)c2)cn1.
What is the InChIKey of 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is UHZKCMQQPAQOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2/c1-16-7-8(6-15-16)5-14-12(18)9-2-3-10(13)11(17)4-9/h2-4,6-7,17H,5H2,1H3,(H,14,18).
What are the key properties of 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-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 3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 113434699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).