3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H22F3N3O — CID 45249455

About 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 45249455) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
• PubChem CID: 45249455
• Molecular Formula: C19H22F3N3O
• Molecular Weight: 365.40 g/mol
• Exact Mass: 365.17
• IUPAC Name: 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
• SMILES: Cc1c(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cccc1C(F)(F)F
• InChI: InChI=1S/C19H22F3N3O/c1-12-14(3-2-4-16(12)19(20,21)22)18-15-10-25(7-5-17(15)23-24-18)9-13-6-8-26-11-13/h2-4,13H,5-11H2,1H3,(H,23,24)
• InChIKey: XQFGTEVTAVKQDV-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 41.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.40
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

The IUPAC name of 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 45249455) is 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

What is the SMILES notation for 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cc1c(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cccc1C(F)(F)F.

What is the InChIKey of 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

The InChIKey is XQFGTEVTAVKQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-12-14(3-2-4-16(12)19(20,21)22)18-15-10-25(7-5-17(15)23-24-18)9-13-6-8-26-11-13/h2-4,13H,5-11H2,1H3,(H,23,24).

What are the key properties of 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?

3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 365.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-methyl-3-(trifluoromethyl)phenyl]-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45249455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).