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

C18H20F3N3O — CID 45185832

IUPAC5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1ccc(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)14-3-1-13(2-4-14)17-15-10-24(7-5-16(15)22-23-17)9-12-6-8-25-11-12/h1-4,12H,5-11H2,(H,22,23)
InChIKeyFYNSDBCUWIHXOG-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.49
Rot. Bonds3

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

5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 45185832) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID45185832
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1ccc(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)14-3-1-13(2-4-14)17-15-10-24(7-5-16(15)22-23-17)9-12-6-8-25-11-12/h1-4,12H,5-11H2,(H,22,23)
InChIKeyFYNSDBCUWIHXOG-UHFFFAOYSA-N
XLogP3.49
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 45185832) is 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is FC(F)(F)c1ccc(-c2n[nH]c3c2CN(CC2CCOC2)CC3)cc1.
What is the InChIKey of 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is FYNSDBCUWIHXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c19-18(20,21)14-3-1-13(2-4-14)17-15-10-24(7-5-16(15)22-23-17)9-12-6-8-25-11-12/h1-4,12H,5-11H2,(H,22,23).
What are the key properties of 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 351.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45185832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).