1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline

C17H14N4 — CID 665240

IUPAC1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline
SMILESCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C17H14N4/c1-2-21-17-16(15(20-21)12-8-4-3-5-9-12)18-13-10-6-7-11-14(13)19-17/h3-11H,2H2,1H3
InChIKeyWKXGDKXWDPBUFH-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.67
Rot. Bonds2

About 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline

1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline (PubChem CID 665240) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline.

Molecular Properties

Compound Name1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline
PubChem CID665240
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline
SMILESCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C17H14N4/c1-2-21-17-16(15(20-21)12-8-4-3-5-9-12)18-13-10-6-7-11-14(13)19-17/h3-11H,2H2,1H3
InChIKeyWKXGDKXWDPBUFH-UHFFFAOYSA-N
XLogP3.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The IUPAC name of 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline (CID 665240) is 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline.
What is the SMILES notation for 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The canonical SMILES for 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline is CCn1nc(-c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The InChIKey is WKXGDKXWDPBUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-21-17-16(15(20-21)12-8-4-3-5-9-12)18-13-10-6-7-11-14(13)19-17/h3-11H,2H2,1H3.
What are the key properties of 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline?
1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline has a molecular weight of 274.33 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylpyrazolo[4,3-b]quinoxaline is sourced from PubChem (CID 665240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).