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

C21H18FN3OS — CID 27373110

IUPAC2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1
InChIInChI=1S/C21H18FN3OS/c1-2-26-17-9-7-15(8-10-17)19-13-20-21(23-11-12-25(20)24-19)27-14-16-5-3-4-6-18(16)22/h3-13H,2,14H2,1H3
InChIKeyBKHZCSPPQLBXHO-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.23
Rot. Bonds6

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

2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (PubChem CID 27373110) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
PubChem CID27373110
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESCCOc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1
InChIInChI=1S/C21H18FN3OS/c1-2-26-17-9-7-15(8-10-17)19-13-20-21(23-11-12-25(20)24-19)27-14-16-5-3-4-6-18(16)22/h3-13H,2,14H2,1H3
InChIKeyBKHZCSPPQLBXHO-UHFFFAOYSA-N
XLogP5.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)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-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (CID 27373110) is 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is CCOc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The InChIKey is BKHZCSPPQLBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-2-26-17-9-7-15(8-10-17)19-13-20-21(23-11-12-25(20)24-19)27-14-16-5-3-4-6-18(16)22/h3-13H,2,14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine has a molecular weight of 379.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27373110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).