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

C15H16FN3O2S — CID 53185500

IUPAC5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C15H16FN3O2S/c16-11-3-1-10(2-4-11)15-13-9-19(8-7-14(13)17-18-15)22(20,21)12-5-6-12/h1-4,12H,5-9H2,(H,17,18)
InChIKeyXNTKWNAWVKXNQF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.07
Rot. Bonds3

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

5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53185500) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53185500
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C15H16FN3O2S/c16-11-3-1-10(2-4-11)15-13-9-19(8-7-14(13)17-18-15)22(20,21)12-5-6-12/h1-4,12H,5-9H2,(H,17,18)
InChIKeyXNTKWNAWVKXNQF-UHFFFAOYSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53185500) is 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is O=S(=O)(C1CC1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XNTKWNAWVKXNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-11-3-1-10(2-4-11)15-13-9-19(8-7-14(13)17-18-15)22(20,21)12-5-6-12/h1-4,12H,5-9H2,(H,17,18).
What are the key properties of 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 321.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylsulfonyl-3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53185500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).