2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine

C21H21N4OPS — CID 2324483

IUPAC2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
SMILESCOP1(=S)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C1CC1
InChIInChI=1S/C21H21N4OPS/c1-15-19-21(24(23-15)17-11-7-4-8-12-17)22-20(16-9-5-3-6-10-16)25(18-13-14-18)27(19,28)26-2/h3-12,18H,13-14H2,1-2H3
InChIKeyZFKAHBBOWYHGGV-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.32
Rot. Bonds4

About 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine

2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine (PubChem CID 2324483) has the molecular formula C21H21N4OPS and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine.

Molecular Properties

Compound Name2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
PubChem CID2324483
Molecular FormulaC21H21N4OPS
Molecular Weight408.47 g/mol
Exact Mass408.12
IUPAC Name2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
SMILESCOP1(=S)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C1CC1
InChIInChI=1S/C21H21N4OPS/c1-15-19-21(24(23-15)17-11-7-4-8-12-17)22-20(16-9-5-3-6-10-16)25(18-13-14-18)27(19,28)26-2/h3-12,18H,13-14H2,1-2H3
InChIKeyZFKAHBBOWYHGGV-UHFFFAOYSA-N
XLogP4.32
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945
N-cyclopropyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide
CID 2324488
N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzenecarboximidamide
CID 2322839
2,7-dimethyl-1-(morpholin-4-yl)-3,5-diphenyl-2,5-dihydro-1H-1l5-pyrazolo[4,3-c][1,5,2]diazaphosphinin-1-one
CID 2323948
3-[3-(4-Fluorophenyl)-1-methoxy-2,7-dimethyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-5-yl]propanenitrile
CID 2324510
3-[1-Ethoxy-3-(4-fluorophenyl)-2,7-dimethyl-1-sulfanylidenepyrazolo[4,3-c][1,5,2]diazaphosphinin-5-yl]propanenitrile
CID 2324512
3-[1-Ethoxy-3-(2-fluorophenyl)-2,7-dimethyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-5-yl]propanenitrile
CID 2324602
N-[4-(dimethylamino)benzylidene]-N-(1,3-diphenyl-1H-pyrazol-5-yl)amine
CID 9600136
4-(2,7-Dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl)morpholine
CID 2322845
N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide
CID 52940872
N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide
CID 52945700
N-nonyl-1,3-diphenylpyrazol-5-amine
CID 117649186

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine?
The IUPAC name of 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine (CID 2324483) is 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine.
What is the SMILES notation for 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine?
The canonical SMILES for 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine is COP1(=S)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine?
The InChIKey is ZFKAHBBOWYHGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N4OPS/c1-15-19-21(24(23-15)17-11-7-4-8-12-17)22-20(16-9-5-3-6-10-16)25(18-13-14-18)27(19,28)26-2/h3-12,18H,13-14H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine?
2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine has a molecular weight of 408.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine is sourced from PubChem (CID 2324483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).