(1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine

C6H9IN3P — CID 172573184

IUPAC(1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine
SMILESC=c1cnn(PI)/c1=C/NC
InChIInChI=1S/C6H9IN3P/c1-5-3-9-10(11-7)6(5)4-8-2/h3-4,8,11H,1H2,2H3/b6-4+
InChIKeyWSMZHNDBUBHDEV-GQCTYLIASA-N
MW281.04 g/mol
LogP0.04
Rot. Bonds2

About (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine

(1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine (PubChem CID 172573184) has the molecular formula C6H9IN3P and a molecular weight of 281.04 g/mol. Its IUPAC name is (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine.

Molecular Properties

Compound Name(1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine
PubChem CID172573184
Molecular FormulaC6H9IN3P
Molecular Weight281.04 g/mol
Exact Mass280.96
IUPAC Name(1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine
SMILESC=c1cnn(PI)/c1=C/NC
InChIInChI=1S/C6H9IN3P/c1-5-3-9-10(11-7)6(5)4-8-2/h3-4,8,11H,1H2,2H3/b6-4+
InChIKeyWSMZHNDBUBHDEV-GQCTYLIASA-N
XLogP0.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.04
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine?
The IUPAC name of (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine (CID 172573184) is (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine.
What is the SMILES notation for (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine?
The canonical SMILES for (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine is C=c1cnn(PI)/c1=C/NC.
What is the InChIKey of (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine?
The InChIKey is WSMZHNDBUBHDEV-GQCTYLIASA-N. The full InChI is InChI=1S/C6H9IN3P/c1-5-3-9-10(11-7)6(5)4-8-2/h3-4,8,11H,1H2,2H3/b6-4+.
What are the key properties of (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine?
(1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine has a molecular weight of 281.04 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-iodophosphanyl-4-methylidenepyrazol-3-ylidene)-N-methylmethanamine is sourced from PubChem (CID 172573184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).