4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide

C15H19N3O2 — CID 22510481

IUPAC4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)n1nc(C)c2ccccc21
InChIInChI=1S/C15H19N3O2/c1-3-10-16-14(19)8-9-15(20)18-13-7-5-4-6-12(13)11(2)17-18/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyVPLRRWLUVAXWDA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.29
Rot. Bonds5

About 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide

4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide (PubChem CID 22510481) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide
PubChem CID22510481
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)n1nc(C)c2ccccc21
InChIInChI=1S/C15H19N3O2/c1-3-10-16-14(19)8-9-15(20)18-13-7-5-4-6-12(13)11(2)17-18/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyVPLRRWLUVAXWDA-UHFFFAOYSA-N
XLogP2.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide?
The IUPAC name of 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide (CID 22510481) is 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)n1nc(C)c2ccccc21.
What is the InChIKey of 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide?
The InChIKey is VPLRRWLUVAXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-10-16-14(19)8-9-15(20)18-13-7-5-4-6-12(13)11(2)17-18/h4-7H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide?
4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide has a molecular weight of 273.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylindazol-1-yl)-4-oxo-N-propylbutanamide is sourced from PubChem (CID 22510481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).