2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine

C20H14N8 — CID 118529657

IUPAC2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine
SMILESc1cc(-c2cc(-c3cnccn3)[nH]n2)cc(-c2cc(-c3cnccn3)[nH]n2)c1
InChIInChI=1S/C20H14N8/c1-2-13(15-9-17(27-25-15)19-11-21-4-6-23-19)8-14(3-1)16-10-18(28-26-16)20-12-22-5-7-24-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyFBZMDOLKGWMQGQ-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.38
Rot. Bonds4

About 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine

2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine (PubChem CID 118529657) has the molecular formula C20H14N8 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine.

Molecular Properties

Compound Name2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine
PubChem CID118529657
Molecular FormulaC20H14N8
Molecular Weight366.39 g/mol
Exact Mass366.13
IUPAC Name2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine
SMILESc1cc(-c2cc(-c3cnccn3)[nH]n2)cc(-c2cc(-c3cnccn3)[nH]n2)c1
InChIInChI=1S/C20H14N8/c1-2-13(15-9-17(27-25-15)19-11-21-4-6-23-19)8-14(3-1)16-10-18(28-26-16)20-12-22-5-7-24-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyFBZMDOLKGWMQGQ-UHFFFAOYSA-N
XLogP3.38
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine?
The IUPAC name of 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine (CID 118529657) is 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine.
What is the SMILES notation for 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine?
The canonical SMILES for 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine is c1cc(-c2cc(-c3cnccn3)[nH]n2)cc(-c2cc(-c3cnccn3)[nH]n2)c1.
What is the InChIKey of 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine?
The InChIKey is FBZMDOLKGWMQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8/c1-2-13(15-9-17(27-25-15)19-11-21-4-6-23-19)8-14(3-1)16-10-18(28-26-16)20-12-22-5-7-24-20/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine?
2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine has a molecular weight of 366.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(5-pyrazin-2-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyrazine is sourced from PubChem (CID 118529657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).