3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine

C18H14N4 — CID 14067721

IUPAC3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N4/c1-13-17-18(22(21-13)15-10-6-3-7-11-15)20-16(12-19-17)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyQLNYVDNJQNSGTH-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine

3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine (PubChem CID 14067721) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
PubChem CID14067721
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cnc12
InChIInChI=1S/C18H14N4/c1-13-17-18(22(21-13)15-10-6-3-7-11-15)20-16(12-19-17)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyQLNYVDNJQNSGTH-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine (CID 14067721) is 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine is Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cnc12.
What is the InChIKey of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
The InChIKey is QLNYVDNJQNSGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-17-18(22(21-13)15-10-6-3-7-11-15)20-16(12-19-17)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine?
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 14067721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).