3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine

C23H18ClN4OPS — CID 2335495

IUPAC3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(Nc1ccccc1)OC(c1ccc(Cl)cc1)=N2
InChIInChI=1S/C23H18ClN4OPS/c1-16-21-22(28(26-16)20-10-6-3-7-11-20)25-23(17-12-14-18(24)15-13-17)29-30(21,31)27-19-8-4-2-5-9-19/h2-15H,1H3,(H,27,31)
InChIKeySFIKKTACGHFMHT-UHFFFAOYSA-N
MW464.92 g/mol
LogP5.99
Rot. Bonds4

About 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine

3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine (PubChem CID 2335495) has the molecular formula C23H18ClN4OPS and a molecular weight of 464.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
PubChem CID2335495
Molecular FormulaC23H18ClN4OPS
Molecular Weight464.92 g/mol
Exact Mass464.06
IUPAC Name3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(Nc1ccccc1)OC(c1ccc(Cl)cc1)=N2
InChIInChI=1S/C23H18ClN4OPS/c1-16-21-22(28(26-16)20-10-6-3-7-11-20)25-23(17-12-14-18(24)15-13-17)29-30(21,31)27-19-8-4-2-5-9-19/h2-15H,1H3,(H,27,31)
InChIKeySFIKKTACGHFMHT-UHFFFAOYSA-N
XLogP5.99
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.92
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-Cyclohexyloxy-3-(4-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 2310718
N-(4-chlorophenyl)-3-(4-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
CID 2323952
N-(4-chlorophenyl)-3-(2-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
CID 2323956
3-(4-chlorophenyl)-7-methyl-5-phenyl-1-sulfanylidene-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
CID 2335528
3-(4-Chlorophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-5-phenyl-1-piperidin-1-yl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 3287307
1-(Azepan-1-yl)-3-(4-chlorophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 3319114
N,N-dibutyl-3-(4-chlorophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
CID 3464141
3-(4-Chlorophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-(2-ethylpiperidin-1-yl)-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 3491464
3-(4-Chlorophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-(4-methylpiperazin-1-yl)-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 4073483
3-(4-Chlorophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-5-phenyl-1-pyrrolidin-1-yl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 4193361
3-(4-chlorophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-N,N-diethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
CID 4650960
3-(4-Chlorophenyl)-1-(2-fluorophenoxy)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 4662589

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine (CID 2335495) is 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine is Cc1nn(-c2ccccc2)c2c1P(=S)(Nc1ccccc1)OC(c1ccc(Cl)cc1)=N2.
What is the InChIKey of 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine?
The InChIKey is SFIKKTACGHFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN4OPS/c1-16-21-22(28(26-16)20-10-6-3-7-11-20)25-23(17-12-14-18(24)15-13-17)29-30(21,31)27-19-8-4-2-5-9-19/h2-15H,1H3,(H,27,31).
What are the key properties of 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine?
3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine has a molecular weight of 464.92 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-methyl-N,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine is sourced from PubChem (CID 2335495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).