Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl ester

HCID 3076818

Basic information

CAS
132508-02-2
Standard SMILES
CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2)=NN1
InChIKey
NPLHDPAQRZJWHX-UHFFFAOYSA-N
Molecular formula
C18H28N2O7P2
Average molar mass
446.4 g/mol
Monoisotopic mass
446.1371745

Names & identifiers

Preferred name
Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl ester
IUPAC
[5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-phenylmethanone

Names & synonyms

132508-02-2Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonateU-81581Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl esterDTXSID60157605RefChem:370505DTXCID4080096SCHEMBL193353CHEMBL283848NPLHDPAQRZJWHX-UHFFFAOYSA-N[5-Benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene]bisphosphonic acid tetraethyl esterU 81581
Show more names
Tetraethyl (3-benzoyl-4,5-dihydro-1H-pyrazole-5,5-diyl)bis(phosphonate)

Database identifiers

CAS
132508-02-2
PubChem CID
3076818
DTXSID
DTXSID60157605
ChEMBL
CHEMBL283848
Nikkaji
J531.988I

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
12
Heavy atoms
29

Related reactions

2 records

Compound notes

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