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

C20H20N4 — CID 2031089

IUPAC1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline
SMILESCCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyDKOWSOMMUFZILP-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.84
Rot. Bonds5

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

1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline (PubChem CID 2031089) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline.

Molecular Properties

Compound Name1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline
PubChem CID2031089
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline
SMILESCCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3
InChIKeyDKOWSOMMUFZILP-UHFFFAOYSA-N
XLogP4.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The IUPAC name of 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline (CID 2031089) is 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline.
What is the SMILES notation for 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The canonical SMILES for 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline is CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline?
The InChIKey is DKOWSOMMUFZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-3-9-14-24-20-19(18(23-24)15-10-5-4-6-11-15)21-16-12-7-8-13-17(16)22-20/h4-8,10-13H,2-3,9,14H2,1H3.
What are the key properties of 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline?
1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline has a molecular weight of 316.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-phenylpyrazolo[4,3-b]quinoxaline is sourced from PubChem (CID 2031089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).