3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide

C10H13N3O2 — CID 82591033

IUPAC3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide
SMILESNC(=O)CCn1ncc2c1CCCC2=O
InChIInChI=1S/C10H13N3O2/c11-10(15)4-5-13-8-2-1-3-9(14)7(8)6-12-13/h6H,1-5H2,(H2,11,15)
InChIKeyGOLVHDSQRVAPHB-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.28
Rot. Bonds3

About 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide

3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide (PubChem CID 82591033) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide
PubChem CID82591033
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide
SMILESNC(=O)CCn1ncc2c1CCCC2=O
InChIInChI=1S/C10H13N3O2/c11-10(15)4-5-13-8-2-1-3-9(14)7(8)6-12-13/h6H,1-5H2,(H2,11,15)
InChIKeyGOLVHDSQRVAPHB-UHFFFAOYSA-N
XLogP0.28
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide?
The IUPAC name of 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide (CID 82591033) is 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide.
What is the SMILES notation for 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide?
The canonical SMILES for 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide is NC(=O)CCn1ncc2c1CCCC2=O.
What is the InChIKey of 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide?
The InChIKey is GOLVHDSQRVAPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(15)4-5-13-8-2-1-3-9(14)7(8)6-12-13/h6H,1-5H2,(H2,11,15).
What are the key properties of 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide?
3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide has a molecular weight of 207.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-6,7-dihydro-5H-indazol-1-yl)propanamide is sourced from PubChem (CID 82591033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).