5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H17N3O2S — CID 53185483

IUPAC5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C15H17N3O2S/c19-21(20,12-6-7-12)18-9-8-14-13(10-18)15(17-16-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeySXOCKIIXHRGOJX-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.93
Rot. Bonds3

About 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53185483) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53185483
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESO=S(=O)(C1CC1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C15H17N3O2S/c19-21(20,12-6-7-12)18-9-8-14-13(10-18)15(17-16-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeySXOCKIIXHRGOJX-UHFFFAOYSA-N
XLogP1.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53185483) is 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is O=S(=O)(C1CC1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is SXOCKIIXHRGOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-21(20,12-6-7-12)18-9-8-14-13(10-18)15(17-16-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17).
What are the key properties of 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 303.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylsulfonyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53185483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).