methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)

C6H7N2O2W+ — CID 20718569

IUPACmethyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)
SMILESCOC(=O)C1=NN=[C-]C1C.[W+2]
InChIInChI=1S/C6H7N2O2.W/c1-4-3-7-8-5(4)6(9)10-2;/h4H,1-2H3;/q-1;+2
InChIKeyXLPBZFUNVUPMOU-UHFFFAOYSA-N
MW322.97 g/mol
LogP0.11
Rot. Bonds1

About methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)

methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+) (PubChem CID 20718569) has the molecular formula C6H7N2O2W+ and a molecular weight of 322.97 g/mol. Its IUPAC name is methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+).

Molecular Properties

Compound Namemethyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)
PubChem CID20718569
Molecular FormulaC6H7N2O2W+
Molecular Weight322.97 g/mol
Exact Mass323.00
IUPAC Namemethyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)
SMILESCOC(=O)C1=NN=[C-]C1C.[W+2]
InChIInChI=1S/C6H7N2O2.W/c1-4-3-7-8-5(4)6(9)10-2;/h4H,1-2H3;/q-1;+2
InChIKeyXLPBZFUNVUPMOU-UHFFFAOYSA-N
XLogP0.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.97
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)?
The IUPAC name of methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+) (CID 20718569) is methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+).
What is the SMILES notation for methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)?
The canonical SMILES for methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+) is COC(=O)C1=NN=[C-]C1C.[W+2].
What is the InChIKey of methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)?
The InChIKey is XLPBZFUNVUPMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O2.W/c1-4-3-7-8-5(4)6(9)10-2;/h4H,1-2H3;/q-1;+2.
What are the key properties of methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+)?
methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+) has a molecular weight of 322.97 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3,4-dihydropyrazol-3-ide-5-carboxylate;tungsten(2+) is sourced from PubChem (CID 20718569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).