N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide

C9H12IN3O — CID 165458560

IUPACN-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide
SMILESCn1ncc(NC(=O)C2(C)CC2)c1I
InChIInChI=1S/C9H12IN3O/c1-9(3-4-9)8(14)12-6-5-11-13(2)7(6)10/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyRDLSNJVPDPFOFJ-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.76
Rot. Bonds2

About N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide

N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 165458560) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID165458560
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC NameN-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide
SMILESCn1ncc(NC(=O)C2(C)CC2)c1I
InChIInChI=1S/C9H12IN3O/c1-9(3-4-9)8(14)12-6-5-11-13(2)7(6)10/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyRDLSNJVPDPFOFJ-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.76
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 N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide (CID 165458560) is N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide is Cn1ncc(NC(=O)C2(C)CC2)c1I.
What is the InChIKey of N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is RDLSNJVPDPFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-9(3-4-9)8(14)12-6-5-11-13(2)7(6)10/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide?
N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 305.12 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-1-methylpyrazol-4-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 165458560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).