3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine

C13H14FN3 — CID 84647312

IUPAC3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
SMILESCn1nc(-c2cccc(F)c2)c2c1CCCN2
InChIInChI=1S/C13H14FN3/c1-17-11-6-3-7-15-13(11)12(16-17)9-4-2-5-10(14)8-9/h2,4-5,8,15H,3,6-7H2,1H3
InChIKeyRHXOIYVXLBZMKJ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.58
Rot. Bonds1

About 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine

3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine (PubChem CID 84647312) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
PubChem CID84647312
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
SMILESCn1nc(-c2cccc(F)c2)c2c1CCCN2
InChIInChI=1S/C13H14FN3/c1-17-11-6-3-7-15-13(11)12(16-17)9-4-2-5-10(14)8-9/h2,4-5,8,15H,3,6-7H2,1H3
InChIKeyRHXOIYVXLBZMKJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine (CID 84647312) is 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine is Cn1nc(-c2cccc(F)c2)c2c1CCCN2.
What is the InChIKey of 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
The InChIKey is RHXOIYVXLBZMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17-11-6-3-7-15-13(11)12(16-17)9-4-2-5-10(14)8-9/h2,4-5,8,15H,3,6-7H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine has a molecular weight of 231.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine is sourced from PubChem (CID 84647312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).