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

C13H14FN3 — CID 84647310

IUPAC1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCc1nn(-c2cccc(F)c2)c2c1NCCC2
InChIInChI=1S/C13H14FN3/c1-9-13-12(6-3-7-15-13)17(16-9)11-5-2-4-10(14)8-11/h2,4-5,8,15H,3,6-7H2,1H3
InChIKeyPMQCQDGYTJRUBZ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.68
Rot. Bonds1

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

1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 84647310) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID84647310
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESCc1nn(-c2cccc(F)c2)c2c1NCCC2
InChIInChI=1S/C13H14FN3/c1-9-13-12(6-3-7-15-13)17(16-9)11-5-2-4-10(14)8-11/h2,4-5,8,15H,3,6-7H2,1H3
InChIKeyPMQCQDGYTJRUBZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 84647310) is 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is Cc1nn(-c2cccc(F)c2)c2c1NCCC2.
What is the InChIKey of 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is PMQCQDGYTJRUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-13-12(6-3-7-15-13)17(16-9)11-5-2-4-10(14)8-11/h2,4-5,8,15H,3,6-7H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 231.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 84647310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).