4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol

C11H19N3O — CID 83909378

IUPAC4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol
SMILESCc1nn(C)c2c1C(O)(CCN)CCC2
InChIInChI=1S/C11H19N3O/c1-8-10-9(14(2)13-8)4-3-5-11(10,15)6-7-12/h15H,3-7,12H2,1-2H3
InChIKeyXSOMQGOOUGYQTJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.60
Rot. Bonds2

About 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol

4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 83909378) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID83909378
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol
SMILESCc1nn(C)c2c1C(O)(CCN)CCC2
InChIInChI=1S/C11H19N3O/c1-8-10-9(14(2)13-8)4-3-5-11(10,15)6-7-12/h15H,3-7,12H2,1-2H3
InChIKeyXSOMQGOOUGYQTJ-UHFFFAOYSA-N
XLogP0.60
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
5,5-difluoro-1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250458
(4S)-5,5-difluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)pentyl]-6,7-dihydro-4H-indazol-4-ol
CID 168250486
(4S)-5,5-difluoro-1-[(3S)-4,4,4-trifluoro-3-methoxybutyl]-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250496
1-(3,3-difluorobutyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250499
(4S)-1-(2,2-difluorobutyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250518

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol (CID 83909378) is 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol is Cc1nn(C)c2c1C(O)(CCN)CCC2.
What is the InChIKey of 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is XSOMQGOOUGYQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-10-9(14(2)13-8)4-3-5-11(10,15)6-7-12/h15H,3-7,12H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol?
4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 209.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 83909378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).