2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline

C17H11BrN4 — CID 10150094

IUPAC2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline
SMILESBrc1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1
InChIInChI=1S/C17H11BrN4/c18-13-4-3-5-14(8-13)22-11-12(9-20-22)17-10-19-15-6-1-2-7-16(15)21-17/h1-11H
InChIKeyHRPOGEDXDIQKBR-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.24
Rot. Bonds2

About 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline

2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline (PubChem CID 10150094) has the molecular formula C17H11BrN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline
PubChem CID10150094
Molecular FormulaC17H11BrN4
Molecular Weight351.21 g/mol
Exact Mass350.02
IUPAC Name2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline
SMILESBrc1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1
InChIInChI=1S/C17H11BrN4/c18-13-4-3-5-14(8-13)22-11-12(9-20-22)17-10-19-15-6-1-2-7-16(15)21-17/h1-11H
InChIKeyHRPOGEDXDIQKBR-UHFFFAOYSA-N
XLogP4.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline (CID 10150094) is 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline is Brc1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline?
The InChIKey is HRPOGEDXDIQKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4/c18-13-4-3-5-14(8-13)22-11-12(9-20-22)17-10-19-15-6-1-2-7-16(15)21-17/h1-11H.
What are the key properties of 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline?
2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline has a molecular weight of 351.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 10150094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).