3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol

C9H14N2O — CID 66489339

IUPAC3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(C)C2
InChIInChI=1S/C9H14N2O/c1-5-3-7-9(8(12)4-5)6(2)10-11-7/h5,8,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyPWBPSJIMILMSNA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.33
Rot. Bonds

About 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol

3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol (PubChem CID 66489339) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol.

Molecular Properties

Compound Name3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
PubChem CID66489339
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(C)C2
InChIInChI=1S/C9H14N2O/c1-5-3-7-9(8(12)4-5)6(2)10-11-7/h5,8,12H,3-4H2,1-2H3,(H,10,11)
InChIKeyPWBPSJIMILMSNA-UHFFFAOYSA-N
XLogP1.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
(4S)-5,5-difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250598
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
5,5-Difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250813
2-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165626280
6,6-Dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
CID 71032665
3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol
CID 82417108
(3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)methanol
CID 123200606
3-Ethylspiro[1,4,5,7-tetrahydroindazole-6,4'-oxane]-4-ol
CID 135141434
ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol
CID 145138637
[(4aS)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazol-3-yl]methanol
CID 156530197
1,4,4a,5,5a,6-Hexahydrocyclopropa[f]indazol-3-ylmethanol
CID 175788645

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The IUPAC name of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol (CID 66489339) is 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol.
What is the SMILES notation for 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The canonical SMILES for 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol is Cc1[nH]nc2c1C(O)CC(C)C2.
What is the InChIKey of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The InChIKey is PWBPSJIMILMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-3-7-9(8(12)4-5)6(2)10-11-7/h5,8,12H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol has a molecular weight of 166.22 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol is sourced from PubChem (CID 66489339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).