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

C13H13F2N3 — CID 82586494

IUPAC1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2c(F)cccc2F)c2c1CNCC2
InChIInChI=1S/C13H13F2N3/c1-8-9-7-16-6-5-12(9)18(17-8)13-10(14)3-2-4-11(13)15/h2-4,16H,5-7H2,1H3
InChIKeyAITTZNZJKIAVTL-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.10
Rot. Bonds1

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

1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 82586494) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID82586494
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2c(F)cccc2F)c2c1CNCC2
InChIInChI=1S/C13H13F2N3/c1-8-9-7-16-6-5-12(9)18(17-8)13-10(14)3-2-4-11(13)15/h2-4,16H,5-7H2,1H3
InChIKeyAITTZNZJKIAVTL-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586496
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587765
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586524
3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586522
1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110459079
1-(2,6-difluorophenyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858492
1-(3-fluoro-2-methylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857668
6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 169428435
3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
CID 105485912
3-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481976
3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586985

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 82586494) is 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is Cc1nn(-c2c(F)cccc2F)c2c1CNCC2.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is AITTZNZJKIAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-9-7-16-6-5-12(9)18(17-8)13-10(14)3-2-4-11(13)15/h2-4,16H,5-7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 249.26 g/mol, XLogP of 2.10, 1 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-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 82586494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).