1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole

C23H26FN3O2S — CID 10224403

IUPAC1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole
SMILESCc1ccc(S(=O)(=O)N2C(CCCn3cccn3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O2S/c1-18-5-12-22(13-6-18)30(28,29)27-21(4-2-16-26-17-3-15-25-26)11-14-23(27)19-7-9-20(24)10-8-19/h3,5-10,12-13,15,17,21,23H,2,4,11,14,16H2,1H3
InChIKeyJAZSKQKUTMYRPI-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.71
Rot. Bonds7

About 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole

1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole (PubChem CID 10224403) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole.

Molecular Properties

Compound Name1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole
PubChem CID10224403
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC Name1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole
SMILESCc1ccc(S(=O)(=O)N2C(CCCn3cccn3)CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O2S/c1-18-5-12-22(13-6-18)30(28,29)27-21(4-2-16-26-17-3-15-25-26)11-14-23(27)19-7-9-20(24)10-8-19/h3,5-10,12-13,15,17,21,23H,2,4,11,14,16H2,1H3
InChIKeyJAZSKQKUTMYRPI-UHFFFAOYSA-N
XLogP4.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]imidazole
CID 10137364
3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 10292985
2-[4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butyl]tetrazole
CID 10203835
2-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]-5-methyl-1,3-dihydrotetrazole
CID 70019027
2-(4-chlorobutyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 22250478
2-(4-fluorophenyl)-5-(4-methoxybutyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 10201316
[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 22250435
4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butanimidamide
CID 22250424
(2S,5S)-2-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407869
2-(bromomethyl)-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 102099481
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole?
The IUPAC name of 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole (CID 10224403) is 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole.
What is the SMILES notation for 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole?
The canonical SMILES for 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole is Cc1ccc(S(=O)(=O)N2C(CCCn3cccn3)CCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole?
The InChIKey is JAZSKQKUTMYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-18-5-12-22(13-6-18)30(28,29)27-21(4-2-16-26-17-3-15-25-26)11-14-23(27)19-7-9-20(24)10-8-19/h3,5-10,12-13,15,17,21,23H,2,4,11,14,16H2,1H3.
What are the key properties of 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole?
1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole has a molecular weight of 427.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propyl]pyrazole is sourced from PubChem (CID 10224403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).