N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

C22H19FN5PS2 — CID 2323940

IUPACN-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(Nc1cccc(F)c1)N(C)C(c1cccs1)=N2
InChIInChI=1S/C22H19FN5PS2/c1-15-20-22(28(25-15)18-10-4-3-5-11-18)24-21(19-12-7-13-31-19)27(2)29(20,30)26-17-9-6-8-16(23)14-17/h3-14H,1-2H3,(H,26,30)
InChIKeyIWUBTGDCWOMAIU-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.45
Rot. Bonds4

About N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (PubChem CID 2323940) has the molecular formula C22H19FN5PS2 and a molecular weight of 467.54 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
PubChem CID2323940
Molecular FormulaC22H19FN5PS2
Molecular Weight467.54 g/mol
Exact Mass467.08
IUPAC NameN-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(Nc1cccc(F)c1)N(C)C(c1cccs1)=N2
InChIInChI=1S/C22H19FN5PS2/c1-15-20-22(28(25-15)18-10-4-3-5-11-18)24-21(19-12-7-13-31-19)27(2)29(20,30)26-17-9-6-8-16(23)14-17/h3-14H,1-2H3,(H,26,30)
InChIKeyIWUBTGDCWOMAIU-UHFFFAOYSA-N
XLogP5.45
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]benzenesulfonamide
CID 2742752
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
CID 2322865
3-fluoro-N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 2742764
5-cyclopropyl-3-methyl-1,6-diphenyl-4-thiophen-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 16276580
1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2742741
1-(4-fluorophenyl)-3,6-dimethyl-4-(2-thienyl)-4H-pyrazolo[5,4-d]1,3-thiazine
CID 16766905
1-(4-Fluorophenyl)-3-(4-methyl-1-phenyl-3-thiophen-2-ylpyrazol-5-yl)urea
CID 142685144
1-Phenyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)piperazine
CID 57332356
3-Methyl-1-phenyl-N-(2-thienylmethylene)-1H-pyrazol-5-amine
CID 139069969
2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
CID 2323941
2,7-dimethyl-1-oxo-5-phenyl-3-thiophen-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
CID 2324491

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The IUPAC name of N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (CID 2323940) is N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The canonical SMILES for N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is Cc1nn(-c2ccccc2)c2c1P(=S)(Nc1cccc(F)c1)N(C)C(c1cccs1)=N2.
What is the InChIKey of N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The InChIKey is IWUBTGDCWOMAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN5PS2/c1-15-20-22(28(25-15)18-10-4-3-5-11-18)24-21(19-12-7-13-31-19)27(2)29(20,30)26-17-9-6-8-16(23)14-17/h3-14H,1-2H3,(H,26,30).
What are the key properties of N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine has a molecular weight of 467.54 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidene-3-thiophen-2-ylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is sourced from PubChem (CID 2323940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).