4,5-bis(dimethoxyphosphoryl)-1H-pyrazole

C7H14N2O6P2 — CID 134938570

IUPAC4,5-bis(dimethoxyphosphoryl)-1H-pyrazole
SMILESCOP(=O)(OC)c1cn[nH]c1P(=O)(OC)OC
InChIInChI=1S/C7H14N2O6P2/c1-12-16(10,13-2)6-5-8-9-7(6)17(11,14-3)15-4/h5H,1-4H3,(H,8,9)
InChIKeyVXEPNOUOMPSFKT-UHFFFAOYSA-N
MW284.15 g/mol
LogP0.63
Rot. Bonds6

About 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole

4,5-bis(dimethoxyphosphoryl)-1H-pyrazole (PubChem CID 134938570) has the molecular formula C7H14N2O6P2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole.

Molecular Properties

Compound Name4,5-bis(dimethoxyphosphoryl)-1H-pyrazole
PubChem CID134938570
Molecular FormulaC7H14N2O6P2
Molecular Weight284.15 g/mol
Exact Mass284.03
IUPAC Name4,5-bis(dimethoxyphosphoryl)-1H-pyrazole
SMILESCOP(=O)(OC)c1cn[nH]c1P(=O)(OC)OC
InChIInChI=1S/C7H14N2O6P2/c1-12-16(10,13-2)6-5-8-9-7(6)17(11,14-3)15-4/h5H,1-4H3,(H,8,9)
InChIKeyVXEPNOUOMPSFKT-UHFFFAOYSA-N
XLogP0.63
TPSA99.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl [4-(trifluoromethyl)-1 H-pyrazol-3-yl]phosphonate
CID 162368587
4-(dimethylphosphoryl)-1H-pyrazole hydrochloride
CID 165604103
Diethyl 1H-pyrazol-3-ylphosphonate
CID 15550888
(Pyrazol-4-yl)-phosphonic acid
CID 69724635
[ethoxy(1H-pyrazol-4-yl)phosphanyl] hypofluorite
CID 177248422
4-(dimethylphosphoryl)-1H-pyrazole
CID 165604104
Diethyl 1H-Pyrazol-4-ylphosphonate
CID 13427646
dimethyl hydrogen phosphate;1H-pyrazole
CID 68859023
5-[bis(deuteriomethoxy)phosphoryl]-1H-pyrazol-4-ol
CID 91181881
ethoxy-oxo-(1H-pyrazol-4-yl)phosphanium
CID 118001122
4-methyl-1H-pyrazole;phosphoric acid
CID 172828185
5-diethoxyphosphoryl-4-methyl-1H-pyrazole
CID 2785327

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole?
The IUPAC name of 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole (CID 134938570) is 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole.
What is the SMILES notation for 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole?
The canonical SMILES for 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole is COP(=O)(OC)c1cn[nH]c1P(=O)(OC)OC.
What is the InChIKey of 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole?
The InChIKey is VXEPNOUOMPSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6P2/c1-12-16(10,13-2)6-5-8-9-7(6)17(11,14-3)15-4/h5H,1-4H3,(H,8,9).
What are the key properties of 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole?
4,5-bis(dimethoxyphosphoryl)-1H-pyrazole has a molecular weight of 284.15 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(dimethoxyphosphoryl)-1H-pyrazole is sourced from PubChem (CID 134938570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).