4-iodo-1-methylpyrazole-3-carboxamide

C5H6IN3O — CID 619698

IUPAC4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(N)=O)n1
InChIInChI=1S/C5H6IN3O/c1-9-2-3(6)4(8-9)5(7)10/h2H,1H3,(H2,7,10)
InChIKeyMEJIWRKALSQUTO-UHFFFAOYSA-N
MW251.03 g/mol
LogP0.12
Rot. Bonds1

About 4-iodo-1-methylpyrazole-3-carboxamide

4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 619698) has the molecular formula C5H6IN3O and a molecular weight of 251.03 g/mol. Its IUPAC name is 4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID619698
Molecular FormulaC5H6IN3O
Molecular Weight251.03 g/mol
Exact Mass250.96
IUPAC Name4-iodo-1-methylpyrazole-3-carboxamide
SMILESCn1cc(I)c(C(N)=O)n1
InChIInChI=1S/C5H6IN3O/c1-9-2-3(6)4(8-9)5(7)10/h2H,1H3,(H2,7,10)
InChIKeyMEJIWRKALSQUTO-UHFFFAOYSA-N
XLogP0.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 50.12
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-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-iodo-1-methylpyrazole-3-carboxamide (CID 619698) is 4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-iodo-1-methylpyrazole-3-carboxamide is Cn1cc(I)c(C(N)=O)n1.
What is the InChIKey of 4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is MEJIWRKALSQUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O/c1-9-2-3(6)4(8-9)5(7)10/h2H,1H3,(H2,7,10).
What are the key properties of 4-iodo-1-methylpyrazole-3-carboxamide?
4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 251.03 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 619698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).