trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol

C13H20N2O — CID 15853908

IUPACtrans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1cc2c(n1)CCCC2
InChIInChI=1S/C13H20N2O/c16-13-8-4-3-7-12(13)15-9-10-5-1-2-6-11(10)14-15/h9,12-13,16H,1-8H2/t12-,13-/m0/s1
InChIKeyHVQNCRIYIMLLEA-STQMWFEESA-N
MW220.32 g/mol
LogP2.24
Rot. Bonds1

About trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol (PubChem CID 15853908) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol
PubChem CID15853908
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Nametrans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1cc2c(n1)CCCC2
InChIInChI=1S/C13H20N2O/c16-13-8-4-3-7-12(13)15-9-10-5-1-2-6-11(10)14-15/h9,12-13,16H,1-8H2/t12-,13-/m0/s1
InChIKeyHVQNCRIYIMLLEA-STQMWFEESA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 43810753
(1-methyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)methanol
CID 178199937
1,1,1-Trifluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol
CID 103778737
1,1-Difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol
CID 113262553
trans-(1S,2S)-2-(3-tert-butylpyrazol-1-yl)cyclohexan-1-ol
CID 15853904
trans-(1S,2S)-2-(3-cyclohexylpyrazol-1-yl)cyclohexan-1-ol
CID 15853905
trans-(1S,2S)-2-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)cyclohexan-1-ol
CID 15853907
4,5,6,7-Tetrahydroindazol-1-ylmethanol
CID 130123800
1-Cyclohexyl-4,5,6,7-tetrahydroindazole
CID 13549261
2-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 39870532
2-[4-(Propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752553
2-Propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol
CID 59050164

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol (CID 15853908) is trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1n1cc2c(n1)CCCC2.
What is the InChIKey of trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol?
The InChIKey is HVQNCRIYIMLLEA-STQMWFEESA-N. The full InChI is InChI=1S/C13H20N2O/c16-13-8-4-3-7-12(13)15-9-10-5-1-2-6-11(10)14-15/h9,12-13,16H,1-8H2/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 15853908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).