[(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten

C8H8N2W — CID 58945486

IUPAC[(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten
SMILESC=C(/C=C\C=[W])n1cccn1
InChIInChI=1S/C8H8N2.W/c1-3-5-8(2)10-7-4-6-9-10;/h1,3-7H,2H2;/b5-3-;
InChIKeyGFXNRWXMCYMEPV-FBZPGIPVSA-N
MW316.01 g/mol
LogP1.26
Rot. Bonds3

About [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten

[(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten (PubChem CID 58945486) has the molecular formula C8H8N2W and a molecular weight of 316.01 g/mol. Its IUPAC name is [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten.

Molecular Properties

Compound Name[(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten
PubChem CID58945486
Molecular FormulaC8H8N2W
Molecular Weight316.01 g/mol
Exact Mass316.02
IUPAC Name[(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten
SMILESC=C(/C=C\C=[W])n1cccn1
InChIInChI=1S/C8H8N2.W/c1-3-5-8(2)10-7-4-6-9-10;/h1,3-7H,2H2;/b5-3-;
InChIKeyGFXNRWXMCYMEPV-FBZPGIPVSA-N
XLogP1.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.01
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten?
The IUPAC name of [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten (CID 58945486) is [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten.
What is the SMILES notation for [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten?
The canonical SMILES for [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten is C=C(/C=C\C=[W])n1cccn1.
What is the InChIKey of [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten?
The InChIKey is GFXNRWXMCYMEPV-FBZPGIPVSA-N. The full InChI is InChI=1S/C8H8N2.W/c1-3-5-8(2)10-7-4-6-9-10;/h1,3-7H,2H2;/b5-3-;.
What are the key properties of [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten?
[(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten has a molecular weight of 316.01 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-4-pyrazol-1-ylpenta-2,4-dienylidene]tungsten is sourced from PubChem (CID 58945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).