1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone

C12H20N2O — CID 2847942

IUPAC1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone
SMILESCC(=O)N1N=C2CCCCC2C1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12-10-6-4-5-7-11(10)13-14(12)9(3)15/h8,10,12H,4-7H2,1-3H3
InChIKeyPUAQGLLTOYVTSQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.42
Rot. Bonds1

About 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone

1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone (PubChem CID 2847942) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone
PubChem CID2847942
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone
SMILESCC(=O)N1N=C2CCCCC2C1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12-10-6-4-5-7-11(10)13-14(12)9(3)15/h8,10,12H,4-7H2,1-3H3
InChIKeyPUAQGLLTOYVTSQ-UHFFFAOYSA-N
XLogP2.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone 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-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone?
The IUPAC name of 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone (CID 2847942) is 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone is CC(=O)N1N=C2CCCCC2C1C(C)C.
What is the InChIKey of 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone?
The InChIKey is PUAQGLLTOYVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12-10-6-4-5-7-11(10)13-14(12)9(3)15/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone?
1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone has a molecular weight of 208.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone is sourced from PubChem (CID 2847942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).