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

C12H22N2O — CID 145337739

IUPACethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCC.CCC1CCc2cn(C)nc2C1O
InChIInChI=1S/C10H16N2O.C2H6/c1-3-7-4-5-8-6-12(2)11-9(8)10(7)13;1-2/h6-7,10,13H,3-5H2,1-2H3;1-2H3
InChIKeyZJCAPJUMGPWMLC-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.45
Rot. Bonds1

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

ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 145337739) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Nameethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID145337739
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCC.CCC1CCc2cn(C)nc2C1O
InChIInChI=1S/C10H16N2O.C2H6/c1-3-7-4-5-8-6-12(2)11-9(8)10(7)13;1-2/h6-7,10,13H,3-5H2,1-2H3;1-2H3
InChIKeyZJCAPJUMGPWMLC-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
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
1-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol
CID 175970597
1-[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]decan-1-ol
CID 101394457
(4,4-Difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol
CID 103138440
(2-Propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105098067
(2-Ethylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105098224
(2-Methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105098368
(4,4-Difluorocyclohexyl)-(1,4-dimethylpyrazol-5-yl)methanol
CID 112742747
(1-Methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 113779790
(1-Methylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 113779792
2-(3,3-Difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 114224504

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol (CID 145337739) is ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol is CC.CCC1CCc2cn(C)nc2C1O.
What is the InChIKey of ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is ZJCAPJUMGPWMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H6/c1-3-7-4-5-8-6-12(2)11-9(8)10(7)13;1-2/h6-7,10,13H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
ethane;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-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;6-ethyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 145337739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).