2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone

C17H17N3O — CID 105110173

IUPAC2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCCn1nc(CC(=O)c2cncc(C)c2)c2ccccc21
InChIInChI=1S/C17H17N3O/c1-3-20-16-7-5-4-6-14(16)15(19-20)9-17(21)13-8-12(2)10-18-11-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyKBUFXCRXOHQDGJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.19
Rot. Bonds4

About 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone

2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone (PubChem CID 105110173) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone
PubChem CID105110173
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone
SMILESCCn1nc(CC(=O)c2cncc(C)c2)c2ccccc21
InChIInChI=1S/C17H17N3O/c1-3-20-16-7-5-4-6-14(16)15(19-20)9-17(21)13-8-12(2)10-18-11-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyKBUFXCRXOHQDGJ-UHFFFAOYSA-N
XLogP3.19
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone (CID 105110173) is 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone is CCn1nc(CC(=O)c2cncc(C)c2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is KBUFXCRXOHQDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-20-16-7-5-4-6-14(16)15(19-20)9-17(21)13-8-12(2)10-18-11-13/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone?
2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105110173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).