4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine

C20H17N3OS — CID 27372827

IUPAC4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1
InChIInChI=1S/C20H17N3OS/c1-24-17-9-7-16(8-10-17)18-13-19-20(21-11-12-23(19)22-18)25-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyIRGJPGMFMCBWAU-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.70
Rot. Bonds5

About 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine

4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 27372827) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID27372827
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1
InChIInChI=1S/C20H17N3OS/c1-24-17-9-7-16(8-10-17)18-13-19-20(21-11-12-23(19)22-18)25-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyIRGJPGMFMCBWAU-UHFFFAOYSA-N
XLogP4.70
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine (CID 27372827) is 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine is COc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1.
What is the InChIKey of 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is IRGJPGMFMCBWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-17-9-7-16(8-10-17)18-13-19-20(21-11-12-23(19)22-18)25-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3.
What are the key properties of 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 347.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27372827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).