5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole

C12H20N2 — CID 165463449

IUPAC5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
SMILESCc1[nH]nc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C12H20N2/c1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyYALPGGLIIOWPST-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.87
Rot. Bonds

About 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole

5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole (PubChem CID 165463449) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
PubChem CID165463449
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
SMILESCc1[nH]nc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C12H20N2/c1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8/h9H,5-7H2,1-4H3,(H,13,14)
InChIKeyYALPGGLIIOWPST-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
The IUPAC name of 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole (CID 165463449) is 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole.
What is the SMILES notation for 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
The canonical SMILES for 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole is Cc1[nH]nc2c1CC(C(C)(C)C)CC2.
What is the InChIKey of 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
The InChIKey is YALPGGLIIOWPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8/h9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole has a molecular weight of 192.31 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole is sourced from PubChem (CID 165463449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).