2-indazol-1-yl-N,N-dimethylacetamide

C11H13N3O — CID 84583666

IUPAC2-indazol-1-yl-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
InChIKeyAOLISVCNSODKGB-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.12
Rot. Bonds2

About 2-indazol-1-yl-N,N-dimethylacetamide

2-indazol-1-yl-N,N-dimethylacetamide (PubChem CID 84583666) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-indazol-1-yl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N,N-dimethylacetamide
PubChem CID84583666
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-indazol-1-yl-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
InChIKeyAOLISVCNSODKGB-UHFFFAOYSA-N
XLogP1.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N,N-dimethylacetamide?
The IUPAC name of 2-indazol-1-yl-N,N-dimethylacetamide (CID 84583666) is 2-indazol-1-yl-N,N-dimethylacetamide.
What is the SMILES notation for 2-indazol-1-yl-N,N-dimethylacetamide?
The canonical SMILES for 2-indazol-1-yl-N,N-dimethylacetamide is CN(C)C(=O)Cn1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-N,N-dimethylacetamide?
The InChIKey is AOLISVCNSODKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3.
What are the key properties of 2-indazol-1-yl-N,N-dimethylacetamide?
2-indazol-1-yl-N,N-dimethylacetamide has a molecular weight of 203.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N,N-dimethylacetamide is sourced from PubChem (CID 84583666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).