5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole

C17H30N2 — CID 122679816

IUPAC5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole
SMILESCC(C)n1cc2c(n1)CCC(C(C)C)(C(C)(C)C)C2
InChIInChI=1S/C17H30N2/c1-12(2)17(16(5,6)7)9-8-15-14(10-17)11-19(18-15)13(3)4/h11-13H,8-10H2,1-7H3
InChIKeyXYQGDVRUBNNFRC-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.64
Rot. Bonds2

About 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole

5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole (PubChem CID 122679816) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole.

Molecular Properties

Compound Name5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole
PubChem CID122679816
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole
SMILESCC(C)n1cc2c(n1)CCC(C(C)C)(C(C)(C)C)C2
InChIInChI=1S/C17H30N2/c1-12(2)17(16(5,6)7)9-8-15-14(10-17)11-19(18-15)13(3)4/h11-13H,8-10H2,1-7H3
InChIKeyXYQGDVRUBNNFRC-UHFFFAOYSA-N
XLogP4.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole?
The IUPAC name of 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole (CID 122679816) is 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole.
What is the SMILES notation for 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole?
The canonical SMILES for 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole is CC(C)n1cc2c(n1)CCC(C(C)C)(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole?
The InChIKey is XYQGDVRUBNNFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)17(16(5,6)7)9-8-15-14(10-17)11-19(18-15)13(3)4/h11-13H,8-10H2,1-7H3.
What are the key properties of 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole?
5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole has a molecular weight of 262.44 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,5-di(propan-2-yl)-6,7-dihydro-4H-indazole is sourced from PubChem (CID 122679816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).