ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol

C12H22N2O — CID 145337884

IUPACethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC.CCC1CCc2nn(C)cc2C1O
InChIInChI=1S/C10H16N2O.C2H6/c1-3-7-4-5-9-8(10(7)13)6-12(2)11-9;1-2/h6-7,10,13H,3-5H2,1-2H3;1-2H3
InChIKeyNYKXKDHOIHRDQT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.45
Rot. Bonds1

About ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol

ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 145337884) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Nameethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID145337884
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC.CCC1CCc2nn(C)cc2C1O
InChIInChI=1S/C10H16N2O.C2H6/c1-3-7-4-5-9-8(10(7)13)6-12(2)11-9;1-2/h6-7,10,13H,3-5H2,1-2H3;1-2H3
InChIKeyNYKXKDHOIHRDQT-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
(5-Dipropylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-3-yl)-methanol
CID 11615782
(1-methyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)methanol
CID 178199937
(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanol
CID 105429741
3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 90162164
5-fluoro-5-methyl-1-(4,4,4-trifluoro-3-hydroxybutyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250424
(4S)-5,5-difluoro-3-(trifluoromethyl)-1-[3-(trifluoromethyl)pentyl]-6,7-dihydro-4H-indazol-4-ol
CID 168250486
5-fluoro-5-methyl-1-[3-(trifluoromethoxy)butyl]-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250729
(4S)-5,5-difluoro-1-(3-methylbutyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250781
(4S)-5,5-difluoro-1-(oxan-2-yl)-6,7-dihydro-4H-indazol-4-ol
CID 168761818
(4S)-5,5-difluoro-3-methyl-1-(4,4,4-trifluoro-3-methylbutyl)-6,7-dihydro-4H-indazol-4-ol
CID 168761893
(4S)-5,5-difluoro-3-methyl-1-propyl-6,7-dihydro-4H-indazol-4-ol
CID 169840005

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol (CID 145337884) is ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol is CC.CCC1CCc2nn(C)cc2C1O.
What is the InChIKey of ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is NYKXKDHOIHRDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H6/c1-3-7-4-5-9-8(10(7)13)6-12(2)11-9;1-2/h6-7,10,13H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 210.32 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 145337884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).