6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol

C10H14N2O — CID 145337869

IUPAC6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESC=CC1CCc2cn(C)nc2C1O
InChIInChI=1S/C10H14N2O/c1-3-7-4-5-8-6-12(2)11-9(8)10(7)13/h3,6-7,10,13H,1,4-5H2,2H3
InChIKeyPECKEDVVHUDUCZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.20
Rot. Bonds1

About 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol

6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 145337869) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID145337869
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESC=CC1CCc2cn(C)nc2C1O
InChIInChI=1S/C10H14N2O/c1-3-7-4-5-8-6-12(2)11-9(8)10(7)13/h3,6-7,10,13H,1,4-5H2,2H3
InChIKeyPECKEDVVHUDUCZ-UHFFFAOYSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
(4,4-Difluorocyclohexyl)-(1-methylpyrazol-3-yl)methanol
CID 103138440
(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)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 113779792
2-Propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol
CID 59050164
2-Methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 84716480
2-Methyl-4,5,6,7-tetrahydroindazol-7-ol
CID 84716484
1-(2-Hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-ol
CID 89208394
(4-Cyclopropyl-1-methylpyrazol-3-yl)methanol
CID 105422582

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol (CID 145337869) is 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol is C=CC1CCc2cn(C)nc2C1O.
What is the InChIKey of 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is PECKEDVVHUDUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-7-4-5-8-6-12(2)11-9(8)10(7)13/h3,6-7,10,13H,1,4-5H2,2H3.
What are the key properties of 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol?
6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 178.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-methyl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 145337869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).