2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole

C15H17N3 — CID 58209175

IUPAC2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole
SMILESCC(C)(C)c1cc2cccc(-c3cn[nH]c3)c2[nH]1
InChIInChI=1S/C15H17N3/c1-15(2,3)13-7-10-5-4-6-12(14(10)18-13)11-8-16-17-9-11/h4-9,18H,1-3H3,(H,16,17)
InChIKeyZLLBUAOAOCYJMN-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.86
Rot. Bonds1

About 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole

2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole (PubChem CID 58209175) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole.

Molecular Properties

Compound Name2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole
PubChem CID58209175
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole
SMILESCC(C)(C)c1cc2cccc(-c3cn[nH]c3)c2[nH]1
InChIInChI=1S/C15H17N3/c1-15(2,3)13-7-10-5-4-6-12(14(10)18-13)11-8-16-17-9-11/h4-9,18H,1-3H3,(H,16,17)
InChIKeyZLLBUAOAOCYJMN-UHFFFAOYSA-N
XLogP3.86
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole?
The IUPAC name of 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole (CID 58209175) is 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole.
What is the SMILES notation for 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole?
The canonical SMILES for 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole is CC(C)(C)c1cc2cccc(-c3cn[nH]c3)c2[nH]1.
What is the InChIKey of 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole?
The InChIKey is ZLLBUAOAOCYJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-15(2,3)13-7-10-5-4-6-12(14(10)18-13)11-8-16-17-9-11/h4-9,18H,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole?
2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(1H-pyrazol-4-yl)-1H-indole is sourced from PubChem (CID 58209175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).