1,3-dimethyl-5,7a-dihydroindazole

C9H12N2 — CID 21336393

IUPAC1,3-dimethyl-5,7a-dihydroindazole
SMILESCC1=NN(C)C2C=CCC=C12
InChIInChI=1S/C9H12N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h4-6,9H,3H2,1-2H3
InChIKeyIZIUPYLHQXFPNA-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.56
Rot. Bonds

About 1,3-dimethyl-5,7a-dihydroindazole

1,3-dimethyl-5,7a-dihydroindazole (PubChem CID 21336393) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,3-dimethyl-5,7a-dihydroindazole.

Molecular Properties

Compound Name1,3-dimethyl-5,7a-dihydroindazole
PubChem CID21336393
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,3-dimethyl-5,7a-dihydroindazole
SMILESCC1=NN(C)C2C=CCC=C12
InChIInChI=1S/C9H12N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h4-6,9H,3H2,1-2H3
InChIKeyIZIUPYLHQXFPNA-UHFFFAOYSA-N
XLogP1.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5,7a-dihydroindazole with MolForge

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

Launch Full Analysis

Related Compounds

(5r)-2,4,6-Trimethyl-1,7-diaza-bicyclo[3.2.0]hepta-3,6-diene
CID 129828096
2,5-Dimethyl-3,3a-dihydroindazole
CID 57584886
2-Methyl-3,3a-dihydroindazole
CID 69411514
2,7-Dimethyl-3,3a-dihydroindazole
CID 90251212
1,3-Dimethyl-5,7a-dihydroindazole;ethane
CID 90787896
3-Methyl-5,7a-dihydroindazol-1-amine
CID 90977846
2-Methyl-4-propan-2-yl-3,7-dihydroindazole
CID 118124524
2,4-Dimethyl-3,7-dihydroindazole
CID 118133040
1-Methyl-5,7a-dihydroindazole
CID 123390047
2,5-Dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 123536790
1,3-Dimethyl-3a,7a-dihydroindazole
CID 129262293
(3aS)-2-methyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 130254967

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,7a-dihydroindazole?
The IUPAC name of 1,3-dimethyl-5,7a-dihydroindazole (CID 21336393) is 1,3-dimethyl-5,7a-dihydroindazole.
What is the SMILES notation for 1,3-dimethyl-5,7a-dihydroindazole?
The canonical SMILES for 1,3-dimethyl-5,7a-dihydroindazole is CC1=NN(C)C2C=CCC=C12.
What is the InChIKey of 1,3-dimethyl-5,7a-dihydroindazole?
The InChIKey is IZIUPYLHQXFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-8-5-3-4-6-9(8)11(2)10-7/h4-6,9H,3H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,7a-dihydroindazole?
1,3-dimethyl-5,7a-dihydroindazole has a molecular weight of 148.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,7a-dihydroindazole is sourced from PubChem (CID 21336393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).