1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol

C22H29F3N4O3S — CID 173143809

About 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol

1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol (PubChem CID 173143809) has the molecular formula C22H29F3N4O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol
• PubChem CID: 173143809
• Molecular Formula: C22H29F3N4O3S
• Molecular Weight: 486.56 g/mol
• Exact Mass: 486.19
• IUPAC Name: 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol
• SMILES: CC(O)C(N1CCCCC1)n1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCN(S(C)(=O)=O)C2
• InChI: InChI=1S/C22H29F3N4O3S/c1-15(30)21(27-11-4-3-5-12-27)29-19-10-13-28(33(2,31)32)14-18(19)20(26-29)16-6-8-17(9-7-16)22(23,24)25/h6-9,15,21,30H,3-5,10-14H2,1-2H3
• InChIKey: BRMOOBMCKGDUFG-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.56
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol?

The IUPAC name of 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol (CID 173143809) is 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol.

What is the SMILES notation for 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol?

The canonical SMILES for 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol is CC(O)C(N1CCCCC1)n1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCN(S(C)(=O)=O)C2.

What is the InChIKey of 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol?

The InChIKey is BRMOOBMCKGDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4O3S/c1-15(30)21(27-11-4-3-5-12-27)29-19-10-13-28(33(2,31)32)14-18(19)20(26-29)16-6-8-17(9-7-16)22(23,24)25/h6-9,15,21,30H,3-5,10-14H2,1-2H3.

What are the key properties of 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol?

1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol has a molecular weight of 486.56 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-1-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 173143809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).