3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol

C12H22N4O — CID 82591180

IUPAC3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol
SMILESCN(C)CCn1nc(CN)c2c1CCCC2O
InChIInChI=1S/C12H22N4O/c1-15(2)6-7-16-10-4-3-5-11(17)12(10)9(8-13)14-16/h11,17H,3-8,13H2,1-2H3
InChIKeyAOFITYXIOSWWSC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.27
Rot. Bonds4

About 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol

3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 82591180) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID82591180
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol
SMILESCN(C)CCn1nc(CN)c2c1CCCC2O
InChIInChI=1S/C12H22N4O/c1-15(2)6-7-16-10-4-3-5-11(17)12(10)9(8-13)14-16/h11,17H,3-8,13H2,1-2H3
InChIKeyAOFITYXIOSWWSC-UHFFFAOYSA-N
XLogP0.27
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 90162164
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
CID 90167674
3-(difluoromethyl)-1-ethyl-7,7-difluoro-5,6-dihydro-4H-indazol-4-ol
CID 118357662
3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 129129794
4-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250415
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2-methylbutanenitrile
CID 168250420
5-fluoro-5-methyl-1-(4,4,4-trifluoro-3-hydroxybutyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250424
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250425
(4S)-1-(2-cyclopropyl-2-fluoroethyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250443
5,5-difluoro-1-(3-methoxypropyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250446
(4S)-1-(3,3-difluorobutyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250447
5,5-difluoro-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol;ethane
CID 168250457

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol (CID 82591180) is 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol is CN(C)CCn1nc(CN)c2c1CCCC2O.
What is the InChIKey of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is AOFITYXIOSWWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15(2)6-7-16-10-4-3-5-11(17)12(10)9(8-13)14-16/h11,17H,3-8,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol?
3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 238.33 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 82591180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).