4-tert-butyl-1,5-dimethylindazole

C13H18N2 — CID 138655344

IUPAC4-tert-butyl-1,5-dimethylindazole
SMILESCc1ccc2c(cnn2C)c1C(C)(C)C
InChIInChI=1S/C13H18N2/c1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4/h6-8H,1-5H3
InChIKeyICZARPMVKCMPSD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.18
Rot. Bonds

About 4-tert-butyl-1,5-dimethylindazole

4-tert-butyl-1,5-dimethylindazole (PubChem CID 138655344) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-tert-butyl-1,5-dimethylindazole.

Molecular Properties

Compound Name4-tert-butyl-1,5-dimethylindazole
PubChem CID138655344
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-tert-butyl-1,5-dimethylindazole
SMILESCc1ccc2c(cnn2C)c1C(C)(C)C
InChIInChI=1S/C13H18N2/c1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4/h6-8H,1-5H3
InChIKeyICZARPMVKCMPSD-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,5-dimethylindazole?
The IUPAC name of 4-tert-butyl-1,5-dimethylindazole (CID 138655344) is 4-tert-butyl-1,5-dimethylindazole.
What is the SMILES notation for 4-tert-butyl-1,5-dimethylindazole?
The canonical SMILES for 4-tert-butyl-1,5-dimethylindazole is Cc1ccc2c(cnn2C)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,5-dimethylindazole?
The InChIKey is ICZARPMVKCMPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4/h6-8H,1-5H3.
What are the key properties of 4-tert-butyl-1,5-dimethylindazole?
4-tert-butyl-1,5-dimethylindazole has a molecular weight of 202.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,5-dimethylindazole is sourced from PubChem (CID 138655344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).