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

C9H14N2O2 — CID 1480738

IUPAC2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1CCO)CCCC2
InChIInChI=1S/C9H14N2O2/c12-6-5-11-9(13)7-3-1-2-4-8(7)10-11/h10,12H,1-6H2
InChIKeyLOCNDGJHKJGPNI-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.05
Rot. Bonds2

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

2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 1480738) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID1480738
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESO=c1c2c([nH]n1CCO)CCCC2
InChIInChI=1S/C9H14N2O2/c12-6-5-11-9(13)7-3-1-2-4-8(7)10-11/h10,12H,1-6H2
InChIKeyLOCNDGJHKJGPNI-UHFFFAOYSA-N
XLogP0.05
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66022116
ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
CID 66022357
2-pentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 70614749
2-(3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetic acid
CID 86719771
4,5,6,7-Tetrahydro-3-hydroxy-2H-indazole-2-propanenitrile
CID 60723479
2-(2-hydroxycycloheptyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66020277
2-cyclopentyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66020466
2-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66020656
2-butan-2-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66020676
2-(2-Hydroxyethyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-one
CID 66020839
2-(2-Hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66020841
2-cyclohexyl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66021287

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 1480738) is 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one is O=c1c2c([nH]n1CCO)CCCC2.
What is the InChIKey of 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is LOCNDGJHKJGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-5-11-9(13)7-3-1-2-4-8(7)10-11/h10,12H,1-6H2.
What are the key properties of 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 182.22 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 1480738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).