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

C15H18N2O — CID 66489150

IUPAC6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]nc(-c3ccccc3)c2C(O)C1
InChIInChI=1S/C15H18N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7,12,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyQAFGMYATHXKYDK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.08
Rot. Bonds1

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

6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol (PubChem CID 66489150) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol
PubChem CID66489150
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]nc(-c3ccccc3)c2C(O)C1
InChIInChI=1S/C15H18N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7,12,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyQAFGMYATHXKYDK-UHFFFAOYSA-N
XLogP3.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethyl-4-phenyl-4,5,6,7-tetrahydro-2hindazole-6-ol
CID 3148951
(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 95165425
2-(7-isopropyl-4-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)phenol
CID 135423685
1-phenyl-2-(3-phenyl-1H-pyrazol-5-yl)ethanol
CID 12203473
[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850779
[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850882
6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 66489168
6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489189
3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 10878517
3-Benzyl-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 57741464
6,6-Dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
CID 71032665
(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol
CID 83392864

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol?
The IUPAC name of 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol (CID 66489150) is 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol?
The canonical SMILES for 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol is CC1(C)Cc2[nH]nc(-c3ccccc3)c2C(O)C1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol?
The InChIKey is QAFGMYATHXKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(2)8-11-13(12(18)9-15)14(17-16-11)10-6-4-3-5-7-10/h3-7,12,18H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol?
6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol has a molecular weight of 242.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-1,4,5,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 66489150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).