5-iodo-N-methyl-1H-indazole-3-carboxamide

C9H8IN3O — CID 75422753

IUPAC5-iodo-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyRJUNKUYOTNQVNF-UHFFFAOYSA-N
MW301.09 g/mol
LogP1.53
Rot. Bonds1

About 5-iodo-N-methyl-1H-indazole-3-carboxamide

5-iodo-N-methyl-1H-indazole-3-carboxamide (PubChem CID 75422753) has the molecular formula C9H8IN3O and a molecular weight of 301.09 g/mol. Its IUPAC name is 5-iodo-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-methyl-1H-indazole-3-carboxamide
PubChem CID75422753
Molecular FormulaC9H8IN3O
Molecular Weight301.09 g/mol
Exact Mass300.97
IUPAC Name5-iodo-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyRJUNKUYOTNQVNF-UHFFFAOYSA-N
XLogP1.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-iodo-N-methyl-1H-indazole-3-carboxamide (CID 75422753) is 5-iodo-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-iodo-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-iodo-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2ccc(I)cc12.
What is the InChIKey of 5-iodo-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is RJUNKUYOTNQVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13).
What are the key properties of 5-iodo-N-methyl-1H-indazole-3-carboxamide?
5-iodo-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 301.09 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 75422753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).