1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone

C16H21N3O — CID 116608186

IUPAC1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
SMILESCCC1(C(=O)Cc2nn(C)c3ccccc23)CCCN1
InChIInChI=1S/C16H21N3O/c1-3-16(9-6-10-17-16)15(20)11-13-12-7-4-5-8-14(12)19(2)18-13/h4-5,7-8,17H,3,6,9-11H2,1-2H3
InChIKeyGXYBYUHJFJAABO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds4

About 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone

1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 116608186) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID116608186
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
SMILESCCC1(C(=O)Cc2nn(C)c3ccccc23)CCCN1
InChIInChI=1S/C16H21N3O/c1-3-16(9-6-10-17-16)15(20)11-13-12-7-4-5-8-14(12)19(2)18-13/h4-5,7-8,17H,3,6,9-11H2,1-2H3
InChIKeyGXYBYUHJFJAABO-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol
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2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone (CID 116608186) is 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone is CCC1(C(=O)Cc2nn(C)c3ccccc23)CCCN1.
What is the InChIKey of 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is GXYBYUHJFJAABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-16(9-6-10-17-16)15(20)11-13-12-7-4-5-8-14(12)19(2)18-13/h4-5,7-8,17H,3,6,9-11H2,1-2H3.
What are the key properties of 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone?
1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 116608186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).