2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine

C20H16FN3S — CID 30849868

IUPAC2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1CSc1nccn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN3S/c1-14-4-2-3-5-16(14)13-25-20-19-12-18(23-24(19)11-10-22-20)15-6-8-17(21)9-7-15/h2-12H,13H2,1H3
InChIKeyUPEIUBYVXLUQSO-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.14
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine

2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (PubChem CID 30849868) has the molecular formula C20H16FN3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
PubChem CID30849868
Molecular FormulaC20H16FN3S
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC Name2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1CSc1nccn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C20H16FN3S/c1-14-4-2-3-5-16(14)13-25-20-19-12-18(23-24(19)11-10-22-20)15-6-8-17(21)9-7-15/h2-12H,13H2,1H3
InChIKeyUPEIUBYVXLUQSO-UHFFFAOYSA-N
XLogP5.14
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine 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 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (CID 30849868) is 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is Cc1ccccc1CSc1nccn2nc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The InChIKey is UPEIUBYVXLUQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3S/c1-14-4-2-3-5-16(14)13-25-20-19-12-18(23-24(19)11-10-22-20)15-6-8-17(21)9-7-15/h2-12H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine has a molecular weight of 349.43 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(2-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 30849868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).