N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

C24H21FN5PS — CID 2322871

IUPACN-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(Nc1cccc(F)c1)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C24H21FN5PS/c1-17-22-24(30(27-17)21-14-7-4-8-15-21)26-23(18-10-5-3-6-11-18)29(2)31(22,32)28-20-13-9-12-19(25)16-20/h3-16H,1-2H3,(H,28,32)
InChIKeyRFGNZBJZWKCRAU-UHFFFAOYSA-N
MW461.51 g/mol
LogP5.39
Rot. Bonds4

About N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine

N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (PubChem CID 2322871) has the molecular formula C24H21FN5PS and a molecular weight of 461.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
PubChem CID2322871
Molecular FormulaC24H21FN5PS
Molecular Weight461.51 g/mol
Exact Mass461.12
IUPAC NameN-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine
SMILESCc1nn(-c2ccccc2)c2c1P(=S)(Nc1cccc(F)c1)N(C)C(c1ccccc1)=N2
InChIInChI=1S/C24H21FN5PS/c1-17-22-24(30(27-17)21-14-7-4-8-15-21)26-23(18-10-5-3-6-11-18)29(2)31(22,32)28-20-13-9-12-19(25)16-20/h3-16H,1-2H3,(H,28,32)
InChIKeyRFGNZBJZWKCRAU-UHFFFAOYSA-N
XLogP5.39
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
5-(2-Aminoanilino)-1,3-diphenylpyrazole
CID 2416350
2-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 3550085
3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 3352034

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The IUPAC name of N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine (CID 2322871) is N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The canonical SMILES for N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is Cc1nn(-c2ccccc2)c2c1P(=S)(Nc1cccc(F)c1)N(C)C(c1ccccc1)=N2.
What is the InChIKey of N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
The InChIKey is RFGNZBJZWKCRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN5PS/c1-17-22-24(30(27-17)21-14-7-4-8-15-21)26-23(18-10-5-3-6-11-18)29(2)31(22,32)28-20-13-9-12-19(25)16-20/h3-16H,1-2H3,(H,28,32).
What are the key properties of N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine?
N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine has a molecular weight of 461.51 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,7-dimethyl-3,5-diphenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinin-1-amine is sourced from PubChem (CID 2322871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).