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

C22H24N5O2P — CID 2323948

IUPAC2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(N1CCOCC1)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C22H24N5O2P/c1-17-20-22(27(24-17)19-11-7-4-8-12-19)23-21(18-9-5-3-6-10-18)25(2)30(20,28)26-13-15-29-16-14-26/h3-12H,13-16H2,1-2H3
InChIKeyBVIGOWRPYONRFZ-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.36
Rot. Bonds3

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

2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (PubChem CID 2323948) has the molecular formula C22H24N5O2P and a molecular weight of 421.44 g/mol. Its IUPAC name is 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.

Molecular Properties

Compound Name2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
PubChem CID2323948
Molecular FormulaC22H24N5O2P
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC Name2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCc1nn(-c2ccccc2)c2c1P(=O)(N1CCOCC1)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C22H24N5O2P/c1-17-20-22(27(24-17)19-11-7-4-8-12-19)23-21(18-9-5-3-6-10-18)25(2)30(20,28)26-13-15-29-16-14-26/h3-12H,13-16H2,1-2H3
InChIKeyBVIGOWRPYONRFZ-UHFFFAOYSA-N
XLogP3.36
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.36
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 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The IUPAC name of 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (CID 2323948) is 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.
What is the SMILES notation for 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The canonical SMILES for 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is Cc1nn(-c2ccccc2)c2c1P(=O)(N1CCOCC1)N(C)C(c1ccccc1)=N2.
What is the InChIKey of 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The InChIKey is BVIGOWRPYONRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N5O2P/c1-17-20-22(27(24-17)19-11-7-4-8-12-19)23-21(18-9-5-3-6-10-18)25(2)30(20,28)26-13-15-29-16-14-26/h3-12H,13-16H2,1-2H3.
What are the key properties of 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide has a molecular weight of 421.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1-morpholin-4-yl-3,5-diphenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is sourced from PubChem (CID 2323948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).