5-diethoxyphosphoryl-1H-pyrazole

C7H13N2O3P — CID 15550888

IUPAC5-diethoxyphosphoryl-1H-pyrazole
SMILESCCOP(=O)(OCC)c1ccn[nH]1
InChIInChI=1S/C7H13N2O3P/c1-3-11-13(10,12-4-2)7-5-6-8-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyXAXIEAXQAMQFTF-UHFFFAOYSA-N
MW204.17 g/mol
LogP1.30
Rot. Bonds5

About 5-diethoxyphosphoryl-1H-pyrazole

5-diethoxyphosphoryl-1H-pyrazole (PubChem CID 15550888) has the molecular formula C7H13N2O3P and a molecular weight of 204.17 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-1H-pyrazole.

Molecular Properties

Compound Name5-diethoxyphosphoryl-1H-pyrazole
PubChem CID15550888
Molecular FormulaC7H13N2O3P
Molecular Weight204.17 g/mol
Exact Mass204.07
IUPAC Name5-diethoxyphosphoryl-1H-pyrazole
SMILESCCOP(=O)(OCC)c1ccn[nH]1
InChIInChI=1S/C7H13N2O3P/c1-3-11-13(10,12-4-2)7-5-6-8-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyXAXIEAXQAMQFTF-UHFFFAOYSA-N
XLogP1.30
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-1H-pyrazole?
The IUPAC name of 5-diethoxyphosphoryl-1H-pyrazole (CID 15550888) is 5-diethoxyphosphoryl-1H-pyrazole.
What is the SMILES notation for 5-diethoxyphosphoryl-1H-pyrazole?
The canonical SMILES for 5-diethoxyphosphoryl-1H-pyrazole is CCOP(=O)(OCC)c1ccn[nH]1.
What is the InChIKey of 5-diethoxyphosphoryl-1H-pyrazole?
The InChIKey is XAXIEAXQAMQFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O3P/c1-3-11-13(10,12-4-2)7-5-6-8-9-7/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 5-diethoxyphosphoryl-1H-pyrazole?
5-diethoxyphosphoryl-1H-pyrazole has a molecular weight of 204.17 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-1H-pyrazole is sourced from PubChem (CID 15550888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).