1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone

C13H17N3O — CID 118567267

IUPAC1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone
SMILESCC(=O)c1nn(CCN(C)C)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-10(17)13-11-6-4-5-7-12(11)16(14-13)9-8-15(2)3/h4-7H,8-9H2,1-3H3
InChIKeyYAQMUXXGIFOXCL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.80
Rot. Bonds4

About 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone

1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone (PubChem CID 118567267) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone
PubChem CID118567267
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone
SMILESCC(=O)c1nn(CCN(C)C)c2ccccc12
InChIInChI=1S/C13H17N3O/c1-10(17)13-11-6-4-5-7-12(11)16(14-13)9-8-15(2)3/h4-7H,8-9H2,1-3H3
InChIKeyYAQMUXXGIFOXCL-UHFFFAOYSA-N
XLogP1.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone (CID 118567267) is 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone is CC(=O)c1nn(CCN(C)C)c2ccccc12.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone?
The InChIKey is YAQMUXXGIFOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)13-11-6-4-5-7-12(11)16(14-13)9-8-15(2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone?
1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone has a molecular weight of 231.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]indazol-3-yl]ethanone is sourced from PubChem (CID 118567267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).