4-indazol-1-yl-4-oxo-N-propylbutanamide

C14H17N3O2 — CID 22510455

IUPAC4-indazol-1-yl-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)n1ncc2ccccc21
InChIInChI=1S/C14H17N3O2/c1-2-9-15-13(18)7-8-14(19)17-12-6-4-3-5-11(12)10-16-17/h3-6,10H,2,7-9H2,1H3,(H,15,18)
InChIKeyAGBNHRWTSAGRNA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds5

About 4-indazol-1-yl-4-oxo-N-propylbutanamide

4-indazol-1-yl-4-oxo-N-propylbutanamide (PubChem CID 22510455) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-indazol-1-yl-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-indazol-1-yl-4-oxo-N-propylbutanamide
PubChem CID22510455
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-indazol-1-yl-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)n1ncc2ccccc21
InChIInChI=1S/C14H17N3O2/c1-2-9-15-13(18)7-8-14(19)17-12-6-4-3-5-11(12)10-16-17/h3-6,10H,2,7-9H2,1H3,(H,15,18)
InChIKeyAGBNHRWTSAGRNA-UHFFFAOYSA-N
XLogP1.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rhodblock 6
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2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
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N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
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N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269261
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[(3R)-3-methyl-2-oxopiperidin-3-yl]-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-yl-4-oxo-N-propylbutanamide?
The IUPAC name of 4-indazol-1-yl-4-oxo-N-propylbutanamide (CID 22510455) is 4-indazol-1-yl-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-indazol-1-yl-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-indazol-1-yl-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)n1ncc2ccccc21.
What is the InChIKey of 4-indazol-1-yl-4-oxo-N-propylbutanamide?
The InChIKey is AGBNHRWTSAGRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-9-15-13(18)7-8-14(19)17-12-6-4-3-5-11(12)10-16-17/h3-6,10H,2,7-9H2,1H3,(H,15,18).
What are the key properties of 4-indazol-1-yl-4-oxo-N-propylbutanamide?
4-indazol-1-yl-4-oxo-N-propylbutanamide has a molecular weight of 259.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-yl-4-oxo-N-propylbutanamide is sourced from PubChem (CID 22510455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).