2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine

C20H16FN3S — CID 30849869

IUPAC2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESCc1cccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1
InChIInChI=1S/C20H16FN3S/c1-14-3-2-4-15(11-14)13-25-20-19-12-18(23-24(19)10-9-22-20)16-5-7-17(21)8-6-16/h2-12H,13H2,1H3
InChIKeySCBQFWUQTYIGDW-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.14
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine

2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (PubChem CID 30849869) has the molecular formula C20H16FN3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
PubChem CID30849869
Molecular FormulaC20H16FN3S
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC Name2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESCc1cccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1
InChIInChI=1S/C20H16FN3S/c1-14-3-2-4-15(11-14)13-25-20-19-12-18(23-24(19)10-9-22-20)16-5-7-17(21)8-6-16/h2-12H,13H2,1H3
InChIKeySCBQFWUQTYIGDW-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (CID 30849869) is 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is Cc1cccc(CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The InChIKey is SCBQFWUQTYIGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3S/c1-14-3-2-4-15(11-14)13-25-20-19-12-18(23-24(19)10-9-22-20)16-5-7-17(21)8-6-16/h2-12H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
2-(4-fluorophenyl)-4-[(3-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-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 30849869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).