2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

C15H17F2N3 — CID 82592742

IUPAC2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESNCCC1CCCc2c1cnn2-c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3/c16-12-4-2-5-13(17)15(12)20-14-6-1-3-10(7-8-18)11(14)9-19-20/h2,4-5,9-10H,1,3,6-8,18H2
InChIKeyDGZOYPKYQLUMND-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.92
Rot. Bonds3

About 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine

2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (PubChem CID 82592742) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
PubChem CID82592742
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
SMILESNCCC1CCCc2c1cnn2-c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3/c16-12-4-2-5-13(17)15(12)20-14-6-1-3-10(7-8-18)11(14)9-19-20/h2,4-5,9-10H,1,3,6-8,18H2
InChIKeyDGZOYPKYQLUMND-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
CID 82593098
(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
2-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592717
1-(4-fluorophenyl)-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11711143
4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole
CID 11524449
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861581
oxalic acid;1-phenyl-4-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazole
CID 11682746
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721
ethyl 2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)acetate;2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol
CID 159074400
1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 155894486
2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole
CID 11502629
3-[4-(aminomethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenol
CID 83861544

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine (CID 82592742) is 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is NCCC1CCCc2c1cnn2-c1c(F)cccc1F.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
The InChIKey is DGZOYPKYQLUMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c16-12-4-2-5-13(17)15(12)20-14-6-1-3-10(7-8-18)11(14)9-19-20/h2,4-5,9-10H,1,3,6-8,18H2.
What are the key properties of 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine?
2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine has a molecular weight of 277.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine is sourced from PubChem (CID 82592742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).