[4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate

C19H16N2O2 — CID 4874896

IUPAC[4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate
SMILESCc1ccc(-c2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1
InChIInChI=1S/C19H16N2O2/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)23-19(22)18-12-20-14(2)11-21-18/h3-12H,1-2H3
InChIKeyRRKDUGQWDIRABS-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.98
Rot. Bonds3

About [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate

[4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate (PubChem CID 4874896) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate
PubChem CID4874896
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name[4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate
SMILESCc1ccc(-c2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1
InChIInChI=1S/C19H16N2O2/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)23-19(22)18-12-20-14(2)11-21-18/h3-12H,1-2H3
InChIKeyRRKDUGQWDIRABS-UHFFFAOYSA-N
XLogP3.98
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate (CID 4874896) is [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate is Cc1ccc(-c2ccc(OC(=O)c3cnc(C)cn3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is RRKDUGQWDIRABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)23-19(22)18-12-20-14(2)11-21-18/h3-12H,1-2H3.
What are the key properties of [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate?
[4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 4874896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).