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

C14H15F2N3 — CID 146456644

IUPAC3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC1NCCc2c1nn(C)c2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2N3/c1-8-13-12(3-4-17-8)14(19(2)18-13)9-5-10(15)7-11(16)6-9/h5-8,17H,3-4H2,1-2H3
InChIKeyOOTQWYCCBSWFSE-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.57
Rot. Bonds1

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

3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 146456644) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID146456644
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCC1NCCc2c1nn(C)c2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H15F2N3/c1-8-13-12(3-4-17-8)14(19(2)18-13)9-5-10(15)7-11(16)6-9/h5-8,17H,3-4H2,1-2H3
InChIKeyOOTQWYCCBSWFSE-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
MK-1925
CID 44178080
2-Cyclobutyl-3-(4-fluoro-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11312173
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
3-(4-Fluoro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11391654
2-Isopropyl-3-(4-trifluoromethyl-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11393128
2-Cyclopropyl-3-(4-fluoro-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11414582
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
3-(4-Fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384655
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263015
(1S,3R)-N-((4-chloro-5-(3,5-difluorophenyl)-1-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45267505

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 146456644) is 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is CC1NCCc2c1nn(C)c2-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is OOTQWYCCBSWFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-8-13-12(3-4-17-8)14(19(2)18-13)9-5-10(15)7-11(16)6-9/h5-8,17H,3-4H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 263.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 146456644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).