1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C18H14F3N3 — CID 82587765

IUPAC1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2nn(-c3c(F)cccc3F)c3c2CNCC3)c1
InChIInChI=1S/C18H14F3N3/c19-12-4-1-3-11(9-12)17-13-10-22-8-7-16(13)24(23-17)18-14(20)5-2-6-15(18)21/h1-6,9,22H,7-8,10H2
InChIKeyGINKRXYWHOGAOZ-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.60
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587765) has the molecular formula C18H14F3N3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587765
Molecular FormulaC18H14F3N3
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2nn(-c3c(F)cccc3F)c3c2CNCC3)c1
InChIInChI=1S/C18H14F3N3/c19-12-4-1-3-11(9-12)17-13-10-22-8-7-16(13)24(23-17)18-14(20)5-2-6-15(18)21/h1-6,9,22H,7-8,10H2
InChIKeyGINKRXYWHOGAOZ-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587765) is 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1cccc(-c2nn(-c3c(F)cccc3F)c3c2CNCC3)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is GINKRXYWHOGAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3/c19-12-4-1-3-11(9-12)17-13-10-22-8-7-16(13)24(23-17)18-14(20)5-2-6-15(18)21/h1-6,9,22H,7-8,10H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 329.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).