methane;1-methyl-7-(2-methylpropyl)indazole

C13H20N2 — CID 178017259

IUPACmethane;1-methyl-7-(2-methylpropyl)indazole
SMILESC.CC(C)Cc1cccc2cnn(C)c12
InChIInChI=1S/C12H16N2.CH4/c1-9(2)7-10-5-4-6-11-8-13-14(3)12(10)11;/h4-6,8-9H,7H2,1-3H3;1H4
InChIKeyPGTOFXWGMVRKJZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.41
Rot. Bonds2

About methane;1-methyl-7-(2-methylpropyl)indazole

methane;1-methyl-7-(2-methylpropyl)indazole (PubChem CID 178017259) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is methane;1-methyl-7-(2-methylpropyl)indazole.

Molecular Properties

Compound Namemethane;1-methyl-7-(2-methylpropyl)indazole
PubChem CID178017259
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Namemethane;1-methyl-7-(2-methylpropyl)indazole
SMILESC.CC(C)Cc1cccc2cnn(C)c12
InChIInChI=1S/C12H16N2.CH4/c1-9(2)7-10-5-4-6-11-8-13-14(3)12(10)11;/h4-6,8-9H,7H2,1-3H3;1H4
InChIKeyPGTOFXWGMVRKJZ-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-7-(2-methylpropyl)indazole?
The IUPAC name of methane;1-methyl-7-(2-methylpropyl)indazole (CID 178017259) is methane;1-methyl-7-(2-methylpropyl)indazole.
What is the SMILES notation for methane;1-methyl-7-(2-methylpropyl)indazole?
The canonical SMILES for methane;1-methyl-7-(2-methylpropyl)indazole is C.CC(C)Cc1cccc2cnn(C)c12.
What is the InChIKey of methane;1-methyl-7-(2-methylpropyl)indazole?
The InChIKey is PGTOFXWGMVRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.CH4/c1-9(2)7-10-5-4-6-11-8-13-14(3)12(10)11;/h4-6,8-9H,7H2,1-3H3;1H4.
What are the key properties of methane;1-methyl-7-(2-methylpropyl)indazole?
methane;1-methyl-7-(2-methylpropyl)indazole has a molecular weight of 204.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-7-(2-methylpropyl)indazole is sourced from PubChem (CID 178017259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).