1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one

C10H14N2O2 — CID 660882

IUPAC1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(CCO)c2c1C(=O)CCC2
InChIInChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3
InChIKeyNUFKJJIXCWBCHD-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.70
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one

1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 660882) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID660882
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(CCO)c2c1C(=O)CCC2
InChIInChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3
InChIKeyNUFKJJIXCWBCHD-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one (CID 660882) is 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one is Cc1nn(CCO)c2c1C(=O)CCC2.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is NUFKJJIXCWBCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-10-8(3-2-4-9(10)14)12(11-7)5-6-13/h13H,2-6H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one?
1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 660882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).