1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone

C9H10N2O2 — CID 175781123

IUPAC1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone
SMILESO=C(CO)N1Cc2ccccc2N1
InChIInChI=1S/C9H10N2O2/c12-6-9(13)11-5-7-3-1-2-4-8(7)10-11/h1-4,10,12H,5-6H2
InChIKeyVRJPKBCJQRTQKH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.35
Rot. Bonds1

About 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone

1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone (PubChem CID 175781123) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone
PubChem CID175781123
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone
SMILESO=C(CO)N1Cc2ccccc2N1
InChIInChI=1S/C9H10N2O2/c12-6-9(13)11-5-7-3-1-2-4-8(7)10-11/h1-4,10,12H,5-6H2
InChIKeyVRJPKBCJQRTQKH-UHFFFAOYSA-N
XLogP0.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone?
The IUPAC name of 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone (CID 175781123) is 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone is O=C(CO)N1Cc2ccccc2N1.
What is the InChIKey of 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone?
The InChIKey is VRJPKBCJQRTQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-6-9(13)11-5-7-3-1-2-4-8(7)10-11/h1-4,10,12H,5-6H2.
What are the key properties of 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone?
1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone has a molecular weight of 178.19 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroindazol-2-yl)-2-hydroxyethanone is sourced from PubChem (CID 175781123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).