3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

C13H18FN3 — CID 75007477

IUPAC3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCN1CCC2NNC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C13H18FN3/c1-17-7-6-12-11(8-17)13(16-15-12)9-2-4-10(14)5-3-9/h2-5,11-13,15-16H,6-8H2,1H3
InChIKeyOXLXYFJBXKWRDB-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.29
Rot. Bonds1

About 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (PubChem CID 75007477) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
PubChem CID75007477
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCN1CCC2NNC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C13H18FN3/c1-17-7-6-12-11(8-17)13(16-15-12)9-2-4-10(14)5-3-9/h2-5,11-13,15-16H,6-8H2,1H3
InChIKeyOXLXYFJBXKWRDB-UHFFFAOYSA-N
XLogP1.29
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (CID 75007477) is 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is CN1CCC2NNC(c3ccc(F)cc3)C2C1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The InChIKey is OXLXYFJBXKWRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-17-7-6-12-11(8-17)13(16-15-12)9-2-4-10(14)5-3-9/h2-5,11-13,15-16H,6-8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine has a molecular weight of 235.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 75007477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).