N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine

C7H9IN3P — CID 177341891

IUPACN-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine
SMILESC=Cc1nn(PI)c(N=C)c1C
InChIInChI=1S/C7H9IN3P/c1-4-6-5(2)7(9-3)11(10-6)12-8/h4,12H,1,3H2,2H3
InChIKeyFDWLBWLKIPRPAV-UHFFFAOYSA-N
MW293.05 g/mol
LogP2.96
Rot. Bonds3

About N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine

N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine (PubChem CID 177341891) has the molecular formula C7H9IN3P and a molecular weight of 293.05 g/mol. Its IUPAC name is N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine
PubChem CID177341891
Molecular FormulaC7H9IN3P
Molecular Weight293.05 g/mol
Exact Mass292.96
IUPAC NameN-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine
SMILESC=Cc1nn(PI)c(N=C)c1C
InChIInChI=1S/C7H9IN3P/c1-4-6-5(2)7(9-3)11(10-6)12-8/h4,12H,1,3H2,2H3
InChIKeyFDWLBWLKIPRPAV-UHFFFAOYSA-N
XLogP2.96
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.05
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine?
The IUPAC name of N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine (CID 177341891) is N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine.
What is the SMILES notation for N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine?
The canonical SMILES for N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine is C=Cc1nn(PI)c(N=C)c1C.
What is the InChIKey of N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine?
The InChIKey is FDWLBWLKIPRPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN3P/c1-4-6-5(2)7(9-3)11(10-6)12-8/h4,12H,1,3H2,2H3.
What are the key properties of N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine?
N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine has a molecular weight of 293.05 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-2-iodophosphanyl-4-methylpyrazol-3-yl)methanimine is sourced from PubChem (CID 177341891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).