4-iodo-N,1-dimethylpyrazole-3-carboxamide

C6H8IN3O — CID 19262122

IUPAC4-iodo-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1I
InChIInChI=1S/C6H8IN3O/c1-8-6(11)5-4(7)3-10(2)9-5/h3H,1-2H3,(H,8,11)
InChIKeySNTGPYNJOOXTSP-UHFFFAOYSA-N
MW265.05 g/mol
LogP0.38
Rot. Bonds1

About 4-iodo-N,1-dimethylpyrazole-3-carboxamide

4-iodo-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19262122) has the molecular formula C6H8IN3O and a molecular weight of 265.05 g/mol. Its IUPAC name is 4-iodo-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-iodo-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19262122
Molecular FormulaC6H8IN3O
Molecular Weight265.05 g/mol
Exact Mass264.97
IUPAC Name4-iodo-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1I
InChIInChI=1S/C6H8IN3O/c1-8-6(11)5-4(7)3-10(2)9-5/h3H,1-2H3,(H,8,11)
InChIKeySNTGPYNJOOXTSP-UHFFFAOYSA-N
XLogP0.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-iodo-N,1-dimethylpyrazole-3-carboxamide (CID 19262122) is 4-iodo-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-iodo-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-iodo-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1I.
What is the InChIKey of 4-iodo-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is SNTGPYNJOOXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O/c1-8-6(11)5-4(7)3-10(2)9-5/h3H,1-2H3,(H,8,11).
What are the key properties of 4-iodo-N,1-dimethylpyrazole-3-carboxamide?
4-iodo-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 265.05 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19262122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).