3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol

C10H17N3O — CID 83863571

IUPAC3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1nc(CCN)c2c1CCCC2O
InChIInChI=1S/C10H17N3O/c1-13-8-3-2-4-9(14)10(8)7(12-13)5-6-11/h9,14H,2-6,11H2,1H3
InChIKeyCXKCXCRJOYWSJM-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.29
Rot. Bonds2

About 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol

3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83863571) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID83863571
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1nc(CCN)c2c1CCCC2O
InChIInChI=1S/C10H17N3O/c1-13-8-3-2-4-9(14)10(8)7(12-13)5-6-11/h9,14H,2-6,11H2,1H3
InChIKeyCXKCXCRJOYWSJM-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
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
(4S)-5,5-difluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250423
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)-5,5-difluoro-3-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-4H-indazol-4-ol
CID 168250428
(4S)-1-(2-cyclopropyl-2-fluoroethyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250443

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol (CID 83863571) is 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol is Cn1nc(CCN)c2c1CCCC2O.
What is the InChIKey of 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is CXKCXCRJOYWSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-8-3-2-4-9(14)10(8)7(12-13)5-6-11/h9,14H,2-6,11H2,1H3.
What are the key properties of 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83863571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).