(3-iodo-4-nitropyrazol-1-yl)phosphane

C3H3IN3O2P — CID 177037965

IUPAC(3-iodo-4-nitropyrazol-1-yl)phosphane
SMILESO=[N+]([O-])c1cn(P)nc1I
InChIInChI=1S/C3H3IN3O2P/c4-3-2(7(8)9)1-6(10)5-3/h1H,10H2
InChIKeyQSXHEXNSWXHZLG-UHFFFAOYSA-N
MW270.95 g/mol
LogP1.03
Rot. Bonds1

About (3-iodo-4-nitropyrazol-1-yl)phosphane

(3-iodo-4-nitropyrazol-1-yl)phosphane (PubChem CID 177037965) has the molecular formula C3H3IN3O2P and a molecular weight of 270.95 g/mol. Its IUPAC name is (3-iodo-4-nitropyrazol-1-yl)phosphane.

Molecular Properties

Compound Name(3-iodo-4-nitropyrazol-1-yl)phosphane
PubChem CID177037965
Molecular FormulaC3H3IN3O2P
Molecular Weight270.95 g/mol
Exact Mass270.90
IUPAC Name(3-iodo-4-nitropyrazol-1-yl)phosphane
SMILESO=[N+]([O-])c1cn(P)nc1I
InChIInChI=1S/C3H3IN3O2P/c4-3-2(7(8)9)1-6(10)5-3/h1H,10H2
InChIKeyQSXHEXNSWXHZLG-UHFFFAOYSA-N
XLogP1.03
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.95
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-iodo-4-nitropyrazol-1-yl)phosphane?
The IUPAC name of (3-iodo-4-nitropyrazol-1-yl)phosphane (CID 177037965) is (3-iodo-4-nitropyrazol-1-yl)phosphane.
What is the SMILES notation for (3-iodo-4-nitropyrazol-1-yl)phosphane?
The canonical SMILES for (3-iodo-4-nitropyrazol-1-yl)phosphane is O=[N+]([O-])c1cn(P)nc1I.
What is the InChIKey of (3-iodo-4-nitropyrazol-1-yl)phosphane?
The InChIKey is QSXHEXNSWXHZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN3O2P/c4-3-2(7(8)9)1-6(10)5-3/h1H,10H2.
What are the key properties of (3-iodo-4-nitropyrazol-1-yl)phosphane?
(3-iodo-4-nitropyrazol-1-yl)phosphane has a molecular weight of 270.95 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodo-4-nitropyrazol-1-yl)phosphane is sourced from PubChem (CID 177037965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).