5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C15H18ClN3O2S — CID 16730475

IUPAC5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC(C)C1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-10(2)15-7-14-11(8-17-18-14)9-19(15)22(20,21)13-5-3-12(16)4-6-13/h3-6,8,10,15H,7,9H2,1-2H3,(H,17,18)
InChIKeyBVXHINMPEZLERH-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.83
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 16730475) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID16730475
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC(C)C1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-10(2)15-7-14-11(8-17-18-14)9-19(15)22(20,21)13-5-3-12(16)4-6-13/h3-6,8,10,15H,7,9H2,1-2H3,(H,17,18)
InChIKeyBVXHINMPEZLERH-UHFFFAOYSA-N
XLogP2.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 16730475) is 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC(C)C1Cc2[nH]ncc2CN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is BVXHINMPEZLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10(2)15-7-14-11(8-17-18-14)9-19(15)22(20,21)13-5-3-12(16)4-6-13/h3-6,8,10,15H,7,9H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 339.85 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-6-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 16730475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).