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

C14H20N2O2 — CID 22732736

IUPAC3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(C3CC3)nn(CCO)c2C1
InChIInChI=1S/C14H20N2O2/c1-14(2)7-10-12(11(18)8-14)13(9-3-4-9)15-16(10)5-6-17/h9,17H,3-8H2,1-2H3
InChIKeyXFNSCMLGYLBEPR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds3

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

3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one (PubChem CID 22732736) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
PubChem CID22732736
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(C3CC3)nn(CCO)c2C1
InChIInChI=1S/C14H20N2O2/c1-14(2)7-10-12(11(18)8-14)13(9-3-4-9)15-16(10)5-6-17/h9,17H,3-8H2,1-2H3
InChIKeyXFNSCMLGYLBEPR-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one?
The IUPAC name of 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one (CID 22732736) is 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2c(C3CC3)nn(CCO)c2C1.
What is the InChIKey of 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one?
The InChIKey is XFNSCMLGYLBEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)7-10-12(11(18)8-14)13(9-3-4-9)15-16(10)5-6-17/h9,17H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one?
3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-hydroxyethyl)-6,6-dimethyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 22732736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).