1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole

C15H19N3 — CID 162696132

IUPAC1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole
SMILESCn1nc2c(c1C(C)(C)C)c1ccccc1n2C
InChIInChI=1S/C15H19N3/c1-15(2,3)13-12-10-8-6-7-9-11(10)17(4)14(12)16-18(13)5/h6-9H,1-5H3
InChIKeyMKHQZAQMPGIXSF-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.36
Rot. Bonds

About 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole

1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole (PubChem CID 162696132) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole.

Molecular Properties

Compound Name1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole
PubChem CID162696132
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole
SMILESCn1nc2c(c1C(C)(C)C)c1ccccc1n2C
InChIInChI=1S/C15H19N3/c1-15(2,3)13-12-10-8-6-7-9-11(10)17(4)14(12)16-18(13)5/h6-9H,1-5H3
InChIKeyMKHQZAQMPGIXSF-UHFFFAOYSA-N
XLogP3.36
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole?
The IUPAC name of 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole (CID 162696132) is 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole.
What is the SMILES notation for 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole?
The canonical SMILES for 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole is Cn1nc2c(c1C(C)(C)C)c1ccccc1n2C.
What is the InChIKey of 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole?
The InChIKey is MKHQZAQMPGIXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2,3)13-12-10-8-6-7-9-11(10)17(4)14(12)16-18(13)5/h6-9H,1-5H3.
What are the key properties of 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole?
1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole has a molecular weight of 241.34 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-dimethylpyrazolo[3,4-b]indole is sourced from PubChem (CID 162696132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).