5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole

C13H20N2 — CID 169314906

IUPAC5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole
SMILESCN1N=CC2C=C(CC(C)(C)C)C=CC21
InChIInChI=1S/C13H20N2/c1-13(2,3)8-10-5-6-12-11(7-10)9-14-15(12)4/h5-7,9,11-12H,8H2,1-4H3
InChIKeyXOZMUDNYAXQILA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.83
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole

5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole (PubChem CID 169314906) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole
PubChem CID169314906
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole
SMILESCN1N=CC2C=C(CC(C)(C)C)C=CC21
InChIInChI=1S/C13H20N2/c1-13(2,3)8-10-5-6-12-11(7-10)9-14-15(12)4/h5-7,9,11-12H,8H2,1-4H3
InChIKeyXOZMUDNYAXQILA-UHFFFAOYSA-N
XLogP2.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole (CID 169314906) is 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole is CN1N=CC2C=C(CC(C)(C)C)C=CC21.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole?
The InChIKey is XOZMUDNYAXQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)8-10-5-6-12-11(7-10)9-14-15(12)4/h5-7,9,11-12H,8H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole?
5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole has a molecular weight of 204.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-methyl-3a,7a-dihydroindazole is sourced from PubChem (CID 169314906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).