1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one

C15H24N2O2 — CID 22732691

IUPAC1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one
SMILESCC(C)Cc1nn(CCO)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H24N2O2/c1-10(2)7-11-14-12(17(16-11)5-6-18)8-15(3,4)9-13(14)19/h10,18H,5-9H2,1-4H3
InChIKeyCZFHBDKAROKPER-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one

1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one (PubChem CID 22732691) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one
PubChem CID22732691
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one
SMILESCC(C)Cc1nn(CCO)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H24N2O2/c1-10(2)7-11-14-12(17(16-11)5-6-18)8-15(3,4)9-13(14)19/h10,18H,5-9H2,1-4H3
InChIKeyCZFHBDKAROKPER-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one (CID 22732691) is 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one is CC(C)Cc1nn(CCO)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one?
The InChIKey is CZFHBDKAROKPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)7-11-14-12(17(16-11)5-6-18)8-15(3,4)9-13(14)19/h10,18H,5-9H2,1-4H3.
What are the key properties of 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one?
1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one has a molecular weight of 264.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6,6-dimethyl-3-(2-methylpropyl)-5,7-dihydroindazol-4-one is sourced from PubChem (CID 22732691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).