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

C13H14FN3 — CID 82289154

IUPAC3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc2c(c1-c1ccccc1F)CNCC2
InChIInChI=1S/C13H14FN3/c1-17-13(9-4-2-3-5-11(9)14)10-8-15-7-6-12(10)16-17/h2-5,15H,6-8H2,1H3
InChIKeyHKBDSYKGHFYYPW-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.87
Rot. Bonds1

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

3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82289154) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82289154
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc2c(c1-c1ccccc1F)CNCC2
InChIInChI=1S/C13H14FN3/c1-17-13(9-4-2-3-5-11(9)14)10-8-15-7-6-12(10)16-17/h2-5,15H,6-8H2,1H3
InChIKeyHKBDSYKGHFYYPW-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82289154) is 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cn1nc2c(c1-c1ccccc1F)CNCC2.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is HKBDSYKGHFYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17-13(9-4-2-3-5-11(9)14)10-8-15-7-6-12(10)16-17/h2-5,15H,6-8H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 231.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82289154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).