1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

C20H21N4O2P — CID 4626169

IUPAC1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCCOP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C
InChIInChI=1S/C20H21N4O2P/c1-4-26-27(25)18-15(2)22-24(17-13-9-6-10-14-17)20(18)21-19(23(27)3)16-11-7-5-8-12-16/h5-14H,4H2,1-3H3
InChIKeySZOIYXMDQNPDON-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.06
Rot. Bonds4

About 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (PubChem CID 4626169) has the molecular formula C20H21N4O2P and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.

Molecular Properties

Compound Name1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
PubChem CID4626169
Molecular FormulaC20H21N4O2P
Molecular Weight380.39 g/mol
Exact Mass380.14
IUPAC Name1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCCOP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C
InChIInChI=1S/C20H21N4O2P/c1-4-26-27(25)18-15(2)22-24(17-13-9-6-10-14-17)20(18)21-19(23(27)3)16-11-7-5-8-12-16/h5-14H,4H2,1-3H3
InChIKeySZOIYXMDQNPDON-UHFFFAOYSA-N
XLogP4.06
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The IUPAC name of 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (CID 4626169) is 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.
What is the SMILES notation for 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The canonical SMILES for 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is CCOP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C.
What is the InChIKey of 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The InChIKey is SZOIYXMDQNPDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N4O2P/c1-4-26-27(25)18-15(2)22-24(17-13-9-6-10-14-17)20(18)21-19(23(27)3)16-11-7-5-8-12-16/h5-14H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide has a molecular weight of 380.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,7-dimethyl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is sourced from PubChem (CID 4626169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).