2-ethyl-N-(1H-indazol-5-yl)butanamide

C13H17N3O — CID 17164523

IUPAC2-ethyl-N-(1H-indazol-5-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O/c1-3-9(4-2)13(17)15-11-5-6-12-10(7-11)8-14-16-12/h5-9H,3-4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZJDQGHWLXLLRCB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.94
Rot. Bonds4

About 2-ethyl-N-(1H-indazol-5-yl)butanamide

2-ethyl-N-(1H-indazol-5-yl)butanamide (PubChem CID 17164523) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethyl-N-(1H-indazol-5-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(1H-indazol-5-yl)butanamide
PubChem CID17164523
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-ethyl-N-(1H-indazol-5-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O/c1-3-9(4-2)13(17)15-11-5-6-12-10(7-11)8-14-16-12/h5-9H,3-4H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZJDQGHWLXLLRCB-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-indazol-5-yl)butanamide?
The IUPAC name of 2-ethyl-N-(1H-indazol-5-yl)butanamide (CID 17164523) is 2-ethyl-N-(1H-indazol-5-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(1H-indazol-5-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(1H-indazol-5-yl)butanamide is CCC(CC)C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-ethyl-N-(1H-indazol-5-yl)butanamide?
The InChIKey is ZJDQGHWLXLLRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-9(4-2)13(17)15-11-5-6-12-10(7-11)8-14-16-12/h5-9H,3-4H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-ethyl-N-(1H-indazol-5-yl)butanamide?
2-ethyl-N-(1H-indazol-5-yl)butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-indazol-5-yl)butanamide is sourced from PubChem (CID 17164523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).