1-(4-bromo-1H-pyrazol-5-yl)indole

C11H8BrN3 — CID 18401365

IUPAC1-(4-bromo-1H-pyrazol-5-yl)indole
SMILESBrc1cn[nH]c1-n1ccc2ccccc21
InChIInChI=1S/C11H8BrN3/c12-9-7-13-14-11(9)15-6-5-8-3-1-2-4-10(8)15/h1-7H,(H,13,14)
InChIKeyGPQFMPGARUZBIB-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.12
Rot. Bonds1

About 1-(4-bromo-1H-pyrazol-5-yl)indole

1-(4-bromo-1H-pyrazol-5-yl)indole (PubChem CID 18401365) has the molecular formula C11H8BrN3 and a molecular weight of 262.11 g/mol. Its IUPAC name is 1-(4-bromo-1H-pyrazol-5-yl)indole.

Molecular Properties

Compound Name1-(4-bromo-1H-pyrazol-5-yl)indole
PubChem CID18401365
Molecular FormulaC11H8BrN3
Molecular Weight262.11 g/mol
Exact Mass260.99
IUPAC Name1-(4-bromo-1H-pyrazol-5-yl)indole
SMILESBrc1cn[nH]c1-n1ccc2ccccc21
InChIInChI=1S/C11H8BrN3/c12-9-7-13-14-11(9)15-6-5-8-3-1-2-4-10(8)15/h1-7H,(H,13,14)
InChIKeyGPQFMPGARUZBIB-UHFFFAOYSA-N
XLogP3.12
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-pyrazol-5-yl)indole?
The IUPAC name of 1-(4-bromo-1H-pyrazol-5-yl)indole (CID 18401365) is 1-(4-bromo-1H-pyrazol-5-yl)indole.
What is the SMILES notation for 1-(4-bromo-1H-pyrazol-5-yl)indole?
The canonical SMILES for 1-(4-bromo-1H-pyrazol-5-yl)indole is Brc1cn[nH]c1-n1ccc2ccccc21.
What is the InChIKey of 1-(4-bromo-1H-pyrazol-5-yl)indole?
The InChIKey is GPQFMPGARUZBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3/c12-9-7-13-14-11(9)15-6-5-8-3-1-2-4-10(8)15/h1-7H,(H,13,14).
What are the key properties of 1-(4-bromo-1H-pyrazol-5-yl)indole?
1-(4-bromo-1H-pyrazol-5-yl)indole has a molecular weight of 262.11 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-pyrazol-5-yl)indole is sourced from PubChem (CID 18401365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).