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

C11H19N3O — CID 83863611

IUPAC3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]nc(CCN)c2C(O)C1
InChIInChI=1S/C11H19N3O/c1-11(2)5-8-10(9(15)6-11)7(3-4-12)13-14-8/h9,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyBLHGHIFJVZDRCX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds2

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

3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (PubChem CID 83863611) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
PubChem CID83863611
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]nc(CCN)c2C(O)C1
InChIInChI=1S/C11H19N3O/c1-11(2)5-8-10(9(15)6-11)7(3-4-12)13-14-8/h9,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyBLHGHIFJVZDRCX-UHFFFAOYSA-N
XLogP0.92
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5,5-difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250598
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
5,5-Difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250813
3-Benzyl-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 57741464
6,6-Dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
CID 71032665
3-Ethylspiro[1,4,5,7-tetrahydroindazole-6,4'-oxane]-4-ol
CID 135141434
3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13333938
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 15192804
3,6,6-Trimethyl-2,4,5,7-tetrahydroindazol-4-ol
CID 19245291
6,6-Dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol
CID 66489150
6,6-Dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489230
3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489339

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (CID 83863611) is 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is CC1(C)Cc2[nH]nc(CCN)c2C(O)C1.
What is the InChIKey of 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The InChIKey is BLHGHIFJVZDRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2)5-8-10(9(15)6-11)7(3-4-12)13-14-8/h9,15H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol has a molecular weight of 209.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83863611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).