1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one

C16H24N2O2 — CID 4163159

IUPAC1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
SMILESCCCC(=O)n1nc(CCC)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C16H24N2O2/c1-5-7-11-15-12(9-16(3,4)10-13(15)19)18(17-11)14(20)8-6-2/h5-10H2,1-4H3
InChIKeyZIHMRBKLDKEVJO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.43
Rot. Bonds4

About 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one

1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one (PubChem CID 4163159) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
PubChem CID4163159
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
SMILESCCCC(=O)n1nc(CCC)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C16H24N2O2/c1-5-7-11-15-12(9-16(3,4)10-13(15)19)18(17-11)14(20)8-6-2/h5-10H2,1-4H3
InChIKeyZIHMRBKLDKEVJO-UHFFFAOYSA-N
XLogP3.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one (CID 4163159) is 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one is CCCC(=O)n1nc(CCC)c2c1CC(C)(C)CC2=O.
What is the InChIKey of 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The InChIKey is ZIHMRBKLDKEVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-7-11-15-12(9-16(3,4)10-13(15)19)18(17-11)14(20)8-6-2/h5-10H2,1-4H3.
What are the key properties of 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one has a molecular weight of 276.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 4163159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).