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

C13H14FN3 — CID 84647311

IUPAC3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
SMILESCn1nc(-c2ccc(F)cc2)c2c1CCCN2
InChIInChI=1S/C13H14FN3/c1-17-11-3-2-8-15-13(11)12(16-17)9-4-6-10(14)7-5-9/h4-7,15H,2-3,8H2,1H3
InChIKeyOYJCFCAWMBPFHS-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.58
Rot. Bonds1

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

3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine (PubChem CID 84647311) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
PubChem CID84647311
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
SMILESCn1nc(-c2ccc(F)cc2)c2c1CCCN2
InChIInChI=1S/C13H14FN3/c1-17-11-3-2-8-15-13(11)12(16-17)9-4-6-10(14)7-5-9/h4-7,15H,2-3,8H2,1H3
InChIKeyOYJCFCAWMBPFHS-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-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine (CID 84647311) is 3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine is Cn1nc(-c2ccc(F)cc2)c2c1CCCN2.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
The InChIKey is OYJCFCAWMBPFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17-11-3-2-8-15-13(11)12(16-17)9-4-6-10(14)7-5-9/h4-7,15H,2-3,8H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine?
3-(4-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-(4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine is sourced from PubChem (CID 84647311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).