ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol

C11H20N2O — CID 145337729

IUPACethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
SMILESCC.CCC1CCc2cn[nH]c2C1O
InChIInChI=1S/C9H14N2O.C2H6/c1-2-6-3-4-7-5-10-11-8(7)9(6)12;1-2/h5-6,9,12H,2-4H2,1H3,(H,10,11);1-2H3
InChIKeyGHCCISTWDHYNIF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.44
Rot. Bonds1

About ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol

ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol (PubChem CID 145337729) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol.

Molecular Properties

Compound Nameethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
PubChem CID145337729
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
SMILESCC.CCC1CCc2cn[nH]c2C1O
InChIInChI=1S/C9H14N2O.C2H6/c1-2-6-3-4-7-5-10-11-8(7)9(6)12;1-2/h5-6,9,12H,2-4H2,1H3,(H,10,11);1-2H3
InChIKeyGHCCISTWDHYNIF-UHFFFAOYSA-N
XLogP2.44
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4b,5a,17b)-17-Methyl-2'H-androst-2-eno[3,2-c]pyrazole-4,17-diol
CID 53477768
4,5,6,7-tetrahydro-1H-indazol-5-ol
CID 55254748
4,5,6,7-Tetrahydro-2H-indazol-7-ol
CID 54593563
4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 57671326
(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanol
CID 155978058
2,17,18-Trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-diene-9,17-diol
CID 14299604
(1S,3aS,3bR,5aR,6S,10aR,10bS,12aS)-1,10a,12a-Trimethyl-1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazole-1,6-diol
CID 71749345
stanozolol-4b-OH
CID 154585471
2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol
CID 21641196
(1S,2R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol
CID 70041668
(1R)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol
CID 70041669
(1R,2S)-2-amino-3-cyclohexyl-1-(1H-pyrazol-5-yl)propan-1-ol
CID 70041670

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The IUPAC name of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol (CID 145337729) is ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol.
What is the SMILES notation for ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The canonical SMILES for ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol is CC.CCC1CCc2cn[nH]c2C1O.
What is the InChIKey of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol?
The InChIKey is GHCCISTWDHYNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-2-6-3-4-7-5-10-11-8(7)9(6)12;1-2/h5-6,9,12H,2-4H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol?
ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol has a molecular weight of 196.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol is sourced from PubChem (CID 145337729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).