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

C20H16FN3OS — CID 27372833

IUPAC4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1
InChIInChI=1S/C20H16FN3OS/c1-25-17-7-5-15(6-8-17)18-12-19-20(22-9-10-24(19)23-18)26-13-14-3-2-4-16(21)11-14/h2-12H,13H2,1H3
InChIKeyMBBZXPMKHUYXFZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.84
Rot. Bonds5

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

4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 27372833) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID27372833
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1
InChIInChI=1S/C20H16FN3OS/c1-25-17-7-5-15(6-8-17)18-12-19-20(22-9-10-24(19)23-18)26-13-14-3-2-4-16(21)11-14/h2-12H,13H2,1H3
InChIKeyMBBZXPMKHUYXFZ-UHFFFAOYSA-N
XLogP4.84
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine (CID 27372833) is 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine is COc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is MBBZXPMKHUYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-25-17-7-5-15(6-8-17)18-12-19-20(22-9-10-24(19)23-18)26-13-14-3-2-4-16(21)11-14/h2-12H,13H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 365.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27372833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).