2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

C21H20FN4O2P — CID 2324532

IUPAC2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCOP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2F)N1C1CC1
InChIInChI=1S/C21H20FN4O2P/c1-14-19-21(25(24-14)15-8-4-3-5-9-15)23-20(17-10-6-7-11-18(17)22)26(16-12-13-16)29(19,27)28-2/h3-11,16H,12-13H2,1-2H3
InChIKeyZOTJSDUDCANEGH-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.34
Rot. Bonds4

About 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide

2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (PubChem CID 2324532) has the molecular formula C21H20FN4O2P and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
PubChem CID2324532
Molecular FormulaC21H20FN4O2P
Molecular Weight410.39 g/mol
Exact Mass410.13
IUPAC Name2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide
SMILESCOP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2F)N1C1CC1
InChIInChI=1S/C21H20FN4O2P/c1-14-19-21(25(24-14)15-8-4-3-5-9-15)23-20(17-10-6-7-11-18(17)22)26(16-12-13-16)29(19,27)28-2/h3-11,16H,12-13H2,1-2H3
InChIKeyZOTJSDUDCANEGH-UHFFFAOYSA-N
XLogP4.34
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The IUPAC name of 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide (CID 2324532) is 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide.
What is the SMILES notation for 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The canonical SMILES for 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is COP1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2F)N1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
The InChIKey is ZOTJSDUDCANEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN4O2P/c1-14-19-21(25(24-14)15-8-4-3-5-9-15)23-20(17-10-6-7-11-18(17)22)26(16-12-13-16)29(19,27)28-2/h3-11,16H,12-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide?
2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide has a molecular weight of 410.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-fluorophenyl)-1-methoxy-7-methyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinine 1-oxide is sourced from PubChem (CID 2324532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).