3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine

C12H20N4 — CID 103078773

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C12H20N4/c1-15-8-10(13)12(14-15)16-7-6-9-4-2-3-5-11(9)16/h8-9,11H,2-7,13H2,1H3
InChIKeyGGNIEEYUAHFITJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds1

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine (PubChem CID 103078773) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine
PubChem CID103078773
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C12H20N4/c1-15-8-10(13)12(14-15)16-7-6-9-4-2-3-5-11(9)16/h8-9,11H,2-7,13H2,1H3
InChIKeyGGNIEEYUAHFITJ-UHFFFAOYSA-N
XLogP1.77
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(2R)-2-methylpiperidin-1-yl]pyrazol-4-amine
CID 97298330
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine
CID 103739512
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloropyridin-3-amine
CID 82747499
1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride
CID 102565516
1-methyl-3-(4-methyl-2-phenylpiperazin-1-yl)pyrazol-4-amine
CID 103077821
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1-methylpyrazol-3-yl)methanone
CID 65355991
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 82749684
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile
CID 103468915
1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol
CID 103078450
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxypyrimidin-5-amine
CID 82747186
3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine
CID 103078568
3-(3-ethylpiperidin-1-yl)-1-methylpyrazol-4-amine
CID 103078086

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine (CID 103078773) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine is Cn1cc(N)c(N2CCC3CCCCC32)n1.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine?
The InChIKey is GGNIEEYUAHFITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-8-10(13)12(14-15)16-7-6-9-4-2-3-5-11(9)16/h8-9,11H,2-7,13H2,1H3.
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103078773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).