5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole

C16H24N2 — CID 177150277

IUPAC5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole
SMILESCCC(C)c1c(C)cc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C16H24N2/c1-7-10(2)14-11(3)8-13-12(9-17-18-13)15(14)16(4,5)6/h8-10H,7H2,1-6H3,(H,17,18)
InChIKeyXARXPAGWVRTNMT-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.68
Rot. Bonds2

About 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole

5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole (PubChem CID 177150277) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole.

Molecular Properties

Compound Name5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole
PubChem CID177150277
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole
SMILESCCC(C)c1c(C)cc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C16H24N2/c1-7-10(2)14-11(3)8-13-12(9-17-18-13)15(14)16(4,5)6/h8-10H,7H2,1-6H3,(H,17,18)
InChIKeyXARXPAGWVRTNMT-UHFFFAOYSA-N
XLogP4.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole 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 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole?
The IUPAC name of 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole (CID 177150277) is 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole.
What is the SMILES notation for 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole?
The canonical SMILES for 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole is CCC(C)c1c(C)cc2[nH]ncc2c1C(C)(C)C.
What is the InChIKey of 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole?
The InChIKey is XARXPAGWVRTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-7-10(2)14-11(3)8-13-12(9-17-18-13)15(14)16(4,5)6/h8-10H,7H2,1-6H3,(H,17,18).
What are the key properties of 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole?
5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole has a molecular weight of 244.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole is sourced from PubChem (CID 177150277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).