N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline

C25H23N4OPS — CID 2310709

IUPACN,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(c1ccc(N(C)C)cc1)OC(c1ccccc1)=N2
InChIInChI=1S/C25H23N4OPS/c1-18-23-24(29(27-18)21-12-8-5-9-13-21)26-25(19-10-6-4-7-11-19)30-31(23,32)22-16-14-20(15-17-22)28(2)3/h4-17H,1-3H3
InChIKeyKRZCRYJUSQBUAJ-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.70
Rot. Bonds4

About N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline

N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline (PubChem CID 2310709) has the molecular formula C25H23N4OPS and a molecular weight of 458.53 g/mol. Its IUPAC name is N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline
PubChem CID2310709
Molecular FormulaC25H23N4OPS
Molecular Weight458.53 g/mol
Exact Mass458.13
IUPAC NameN,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(c1ccc(N(C)C)cc1)OC(c1ccccc1)=N2
InChIInChI=1S/C25H23N4OPS/c1-18-23-24(29(27-18)21-12-8-5-9-13-21)26-25(19-10-6-4-7-11-19)30-31(23,32)22-16-14-20(15-17-22)28(2)3/h4-17H,1-3H3
InChIKeyKRZCRYJUSQBUAJ-UHFFFAOYSA-N
XLogP4.70
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline 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

N,N-diethyl-3-(4-fluorophenyl)-7-methyl-1-oxo-5-phenylpyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-amine
CID 2310717
3-(7-Methyl-3-phenyl-1-piperidin-1-yl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-5-yl)propanenitrile
CID 2320466
7-Methyl-1-morpholin-4-yl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 2324081
2-Cyclopropyl-1-methoxy-7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 2324483
N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide
CID 52942147
1-Ethoxy-3-(4-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 2323949
1-Ethoxy-3-(2-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 2323959
3-(4-Fluorophenyl)-1-methoxy-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 4057477
1-Cyclohexyloxy-3-(4-fluorophenyl)-7-methyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinine
CID 2310718
3-(4-Fluorophenyl)-7-methyl-5-phenyl-1-(4-phenylpiperazin-1-yl)pyrazolo[4,5-c][1,5,2]oxazaphosphinine 1-oxide
CID 2310724
3-(2-Fluorophenyl)-1-methoxy-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 2323957
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline (CID 2310709) is N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline is Cc1nn(-c2ccccc2)c2c1P(=S)(c1ccc(N(C)C)cc1)OC(c1ccccc1)=N2.
What is the InChIKey of N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline?
The InChIKey is KRZCRYJUSQBUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N4OPS/c1-18-23-24(29(27-18)21-12-8-5-9-13-21)26-25(19-10-6-4-7-11-19)30-31(23,32)22-16-14-20(15-17-22)28(2)3/h4-17H,1-3H3.
What are the key properties of N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline?
N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline has a molecular weight of 458.53 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(7-methyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]oxazaphosphinin-1-yl)aniline is sourced from PubChem (CID 2310709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).