4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole

C13H20N2 — CID 138655189

IUPAC4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole
SMILESCC1=C(C(C)(C)C)c2cnn(C)c2CC1
InChIInChI=1S/C13H20N2/c1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4/h8H,6-7H2,1-5H3
InChIKeyHUICPDAAFNBHFK-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.19
Rot. Bonds

About 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole

4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole (PubChem CID 138655189) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole.

Molecular Properties

Compound Name4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole
PubChem CID138655189
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole
SMILESCC1=C(C(C)(C)C)c2cnn(C)c2CC1
InChIInChI=1S/C13H20N2/c1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4/h8H,6-7H2,1-5H3
InChIKeyHUICPDAAFNBHFK-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.19
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-dimethyl-6,7-dihydroindazole?
The IUPAC name of 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole (CID 138655189) is 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole.
What is the SMILES notation for 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole?
The canonical SMILES for 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole is CC1=C(C(C)(C)C)c2cnn(C)c2CC1.
What is the InChIKey of 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole?
The InChIKey is HUICPDAAFNBHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-6-7-11-10(8-14-15(11)5)12(9)13(2,3)4/h8H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole?
4-tert-butyl-1,5-dimethyl-6,7-dihydroindazole has a molecular weight of 204.32 g/mol, XLogP of 3.19, 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-dimethyl-6,7-dihydroindazole is sourced from PubChem (CID 138655189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).