3-amino-5-iodo-1-methylpyrazole-4-carboxamide

C5H7IN4O — CID 137469533

IUPAC3-amino-5-iodo-1-methylpyrazole-4-carboxamide
SMILESCn1nc(N)c(C(N)=O)c1I
InChIInChI=1S/C5H7IN4O/c1-10-3(6)2(5(8)11)4(7)9-10/h1H3,(H2,7,9)(H2,8,11)
InChIKeyARJAFWBITOSWMK-UHFFFAOYSA-N
MW266.04 g/mol
LogP-0.29
Rot. Bonds1

About 3-amino-5-iodo-1-methylpyrazole-4-carboxamide

3-amino-5-iodo-1-methylpyrazole-4-carboxamide (PubChem CID 137469533) has the molecular formula C5H7IN4O and a molecular weight of 266.04 g/mol. Its IUPAC name is 3-amino-5-iodo-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-iodo-1-methylpyrazole-4-carboxamide
PubChem CID137469533
Molecular FormulaC5H7IN4O
Molecular Weight266.04 g/mol
Exact Mass265.97
IUPAC Name3-amino-5-iodo-1-methylpyrazole-4-carboxamide
SMILESCn1nc(N)c(C(N)=O)c1I
InChIInChI=1S/C5H7IN4O/c1-10-3(6)2(5(8)11)4(7)9-10/h1H3,(H2,7,9)(H2,8,11)
InChIKeyARJAFWBITOSWMK-UHFFFAOYSA-N
XLogP-0.29
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-iodo-1-methylpyrazole-4-carboxamide (CID 137469533) is 3-amino-5-iodo-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-iodo-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-iodo-1-methylpyrazole-4-carboxamide is Cn1nc(N)c(C(N)=O)c1I.
What is the InChIKey of 3-amino-5-iodo-1-methylpyrazole-4-carboxamide?
The InChIKey is ARJAFWBITOSWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN4O/c1-10-3(6)2(5(8)11)4(7)9-10/h1H3,(H2,7,9)(H2,8,11).
What are the key properties of 3-amino-5-iodo-1-methylpyrazole-4-carboxamide?
3-amino-5-iodo-1-methylpyrazole-4-carboxamide has a molecular weight of 266.04 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 137469533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).