5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine

C18H14N4O — CID 134808818

IUPAC5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2cnc3n[nH]c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-9-7-12(8-10-14)15-11-19-18-17(20-15)16(21-22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21,22)
InChIKeyIEGRGQZYPAOMRU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.70
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine

5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134808818) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134808818
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2cnc3n[nH]c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-9-7-12(8-10-14)15-11-19-18-17(20-15)16(21-22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21,22)
InChIKeyIEGRGQZYPAOMRU-UHFFFAOYSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine (CID 134808818) is 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine is COc1ccc(-c2cnc3n[nH]c(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is IEGRGQZYPAOMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-14-9-7-12(8-10-14)15-11-19-18-17(20-15)16(21-22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21,22).
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine?
5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 302.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134808818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).