3-(2-methylindazol-5-yl)propanamide

C11H13N3O — CID 126651396

IUPAC3-(2-methylindazol-5-yl)propanamide
SMILESCn1cc2cc(CCC(N)=O)ccc2n1
InChIInChI=1S/C11H13N3O/c1-14-7-9-6-8(3-5-11(12)15)2-4-10(9)13-14/h2,4,6-7H,3,5H2,1H3,(H2,12,15)
InChIKeyYLNGENFRRVOAMM-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.99
Rot. Bonds3

About 3-(2-methylindazol-5-yl)propanamide

3-(2-methylindazol-5-yl)propanamide (PubChem CID 126651396) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(2-methylindazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylindazol-5-yl)propanamide
PubChem CID126651396
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(2-methylindazol-5-yl)propanamide
SMILESCn1cc2cc(CCC(N)=O)ccc2n1
InChIInChI=1S/C11H13N3O/c1-14-7-9-6-8(3-5-11(12)15)2-4-10(9)13-14/h2,4,6-7H,3,5H2,1H3,(H2,12,15)
InChIKeyYLNGENFRRVOAMM-UHFFFAOYSA-N
XLogP0.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindazol-5-yl)propanamide?
The IUPAC name of 3-(2-methylindazol-5-yl)propanamide (CID 126651396) is 3-(2-methylindazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-methylindazol-5-yl)propanamide?
The canonical SMILES for 3-(2-methylindazol-5-yl)propanamide is Cn1cc2cc(CCC(N)=O)ccc2n1.
What is the InChIKey of 3-(2-methylindazol-5-yl)propanamide?
The InChIKey is YLNGENFRRVOAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-7-9-6-8(3-5-11(12)15)2-4-10(9)13-14/h2,4,6-7H,3,5H2,1H3,(H2,12,15).
What are the key properties of 3-(2-methylindazol-5-yl)propanamide?
3-(2-methylindazol-5-yl)propanamide has a molecular weight of 203.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindazol-5-yl)propanamide is sourced from PubChem (CID 126651396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).