1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone

C17H20N2O2 — CID 3150944

IUPAC1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone
SMILESCC(=O)C1C(c2ccccc2)c2c(n[nH]c2C)CC1(C)O
InChIInChI=1S/C17H20N2O2/c1-10-14-13(19-18-10)9-17(3,21)16(11(2)20)15(14)12-7-5-4-6-8-12/h4-8,15-16,21H,9H2,1-3H3,(H,18,19)
InChIKeyXNIRGPLNIOMGAR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.36
Rot. Bonds2

About 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone

1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone (PubChem CID 3150944) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone
PubChem CID3150944
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone
SMILESCC(=O)C1C(c2ccccc2)c2c(n[nH]c2C)CC1(C)O
InChIInChI=1S/C17H20N2O2/c1-10-14-13(19-18-10)9-17(3,21)16(11(2)20)15(14)12-7-5-4-6-8-12/h4-8,15-16,21H,9H2,1-3H3,(H,18,19)
InChIKeyXNIRGPLNIOMGAR-UHFFFAOYSA-N
XLogP2.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone (CID 3150944) is 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone is CC(=O)C1C(c2ccccc2)c2c(n[nH]c2C)CC1(C)O.
What is the InChIKey of 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone?
The InChIKey is XNIRGPLNIOMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-14-13(19-18-10)9-17(3,21)16(11(2)20)15(14)12-7-5-4-6-8-12/h4-8,15-16,21H,9H2,1-3H3,(H,18,19).
What are the key properties of 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone?
1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-5-yl)ethanone is sourced from PubChem (CID 3150944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).