dimethyl pyrazol-1-yl phosphate

C5H9N2O4P — CID 68859025

IUPACdimethyl pyrazol-1-yl phosphate
SMILESCOP(=O)(OC)On1cccn1
InChIInChI=1S/C5H9N2O4P/c1-9-12(8,10-2)11-7-5-3-4-6-7/h3-5H,1-2H3
InChIKeyLWWHMRQSISUHTO-UHFFFAOYSA-N
MW192.11 g/mol
LogP0.71
Rot. Bonds4

About dimethyl pyrazol-1-yl phosphate

dimethyl pyrazol-1-yl phosphate (PubChem CID 68859025) has the molecular formula C5H9N2O4P and a molecular weight of 192.11 g/mol. Its IUPAC name is dimethyl pyrazol-1-yl phosphate.

Molecular Properties

Compound Namedimethyl pyrazol-1-yl phosphate
PubChem CID68859025
Molecular FormulaC5H9N2O4P
Molecular Weight192.11 g/mol
Exact Mass192.03
IUPAC Namedimethyl pyrazol-1-yl phosphate
SMILESCOP(=O)(OC)On1cccn1
InChIInChI=1S/C5H9N2O4P/c1-9-12(8,10-2)11-7-5-3-4-6-7/h3-5H,1-2H3
InChIKeyLWWHMRQSISUHTO-UHFFFAOYSA-N
XLogP0.71
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl pyrazol-1-yl phosphate?
The IUPAC name of dimethyl pyrazol-1-yl phosphate (CID 68859025) is dimethyl pyrazol-1-yl phosphate.
What is the SMILES notation for dimethyl pyrazol-1-yl phosphate?
The canonical SMILES for dimethyl pyrazol-1-yl phosphate is COP(=O)(OC)On1cccn1.
What is the InChIKey of dimethyl pyrazol-1-yl phosphate?
The InChIKey is LWWHMRQSISUHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O4P/c1-9-12(8,10-2)11-7-5-3-4-6-7/h3-5H,1-2H3.
What are the key properties of dimethyl pyrazol-1-yl phosphate?
dimethyl pyrazol-1-yl phosphate has a molecular weight of 192.11 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pyrazol-1-yl phosphate is sourced from PubChem (CID 68859025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).