5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C18H16FN3O2S — CID 42520267

IUPAC5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C18H16FN3O2S/c19-16-9-5-4-8-14(16)18-15-12-22(11-10-17(15)20-21-18)25(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)
InChIKeyVQWRVSLBBCXCGQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.96
Rot. Bonds3

About 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 42520267) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID42520267
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C18H16FN3O2S/c19-16-9-5-4-8-14(16)18-15-12-22(11-10-17(15)20-21-18)25(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)
InChIKeyVQWRVSLBBCXCGQ-UHFFFAOYSA-N
XLogP2.96
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopropyl-5-(4-fluorophenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24865253
(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890816
7,7-difluoro-4-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890820
(1S,8R)-13-fluoro-15-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene
CID 71552168
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 6624522
12-(4-Chlorophenyl)sulfonyl-3-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
CID 16045312
12-(4-Chlorophenyl)sulfonyl-3-(trifluoromethyl)-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 16045314
12-(4-Chlorophenyl)sulfonyl-3-(difluoromethyl)-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 16045316
5-(4-chloro-benzenesulfonyl)-6-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
CID 16730389
6-Benzyl-5-(4-chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730390
5-(4-Chlorophenylsulfonyl)-6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730476

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 42520267) is 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is O=S(=O)(c1ccccc1)N1CCc2[nH]nc(-c3ccccc3F)c2C1.
What is the InChIKey of 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is VQWRVSLBBCXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-16-9-5-4-8-14(16)18-15-12-22(11-10-17(15)20-21-18)25(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21).
What are the key properties of 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 357.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 42520267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).