1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol

C9H14N2O — CID 66489378

IUPAC1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCc1nn(C)c2c1C(O)CCC2
InChIInChI=1S/C9H14N2O/c1-6-9-7(11(2)10-6)4-3-5-8(9)12/h8,12H,3-5H2,1-2H3
InChIKeyYPUOKENSSJAUEW-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.10
Rot. Bonds

About 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol

1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 66489378) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID66489378
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCc1nn(C)c2c1C(O)CCC2
InChIInChI=1S/C9H14N2O/c1-6-9-7(11(2)10-6)4-3-5-8(9)12/h8,12H,3-5H2,1-2H3
InChIKeyYPUOKENSSJAUEW-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.10
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
3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 90162164
3-(Difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
CID 90167577
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
CID 90167674
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 90167822
3-(difluoromethyl)-1-ethyl-7,7-difluoro-5,6-dihydro-4H-indazol-4-ol
CID 118357662
1-Ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 118357736
1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 129129791
3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 129129794
4-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250415
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2-methylbutanenitrile
CID 168250420
(4S)-5,5-difluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250423

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol (CID 66489378) is 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol is Cc1nn(C)c2c1C(O)CCC2.
What is the InChIKey of 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is YPUOKENSSJAUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-9-7(11(2)10-6)4-3-5-8(9)12/h8,12H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol?
1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 166.22 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 66489378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).