1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one

C16H20N2O2 — CID 103986229

IUPAC1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCCn1nc(CC(=O)CC2CCOC2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-16-6-4-3-5-14(16)15(17-18)10-13(19)9-12-7-8-20-11-12/h3-6,12H,2,7-11H2,1H3
InChIKeyQGGIVVVLGDWBSB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.59
Rot. Bonds5

About 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one

1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 103986229) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
PubChem CID103986229
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCCn1nc(CC(=O)CC2CCOC2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-18-16-6-4-3-5-14(16)15(17-18)10-13(19)9-12-7-8-20-11-12/h3-6,12H,2,7-11H2,1H3
InChIKeyQGGIVVVLGDWBSB-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one (CID 103986229) is 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one is CCn1nc(CC(=O)CC2CCOC2)c2ccccc21.
What is the InChIKey of 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is QGGIVVVLGDWBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-16-6-4-3-5-14(16)15(17-18)10-13(19)9-12-7-8-20-11-12/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one?
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 103986229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).