(4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate

C17H20N2O2 — CID 7920650

IUPAC(4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cn1
InChIInChI=1S/C17H20N2O2/c1-11-8-13(17(3,4)5)6-7-15(11)21-16(20)14-10-18-12(2)9-19-14/h6-10H,1-5H3
InChIKeyPFKNOGMOZAVSJB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.61
Rot. Bonds2

About (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate

(4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate (PubChem CID 7920650) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate
PubChem CID7920650
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cn1
InChIInChI=1S/C17H20N2O2/c1-11-8-13(17(3,4)5)6-7-15(11)21-16(20)14-10-18-12(2)9-19-14/h6-10H,1-5H3
InChIKeyPFKNOGMOZAVSJB-UHFFFAOYSA-N
XLogP3.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2457299
(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate
CID 18074634
(4-iodophenyl) 5-methylpyrazine-2-carboxylate
CID 47099393
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
CID 7956905
(4-tert-butyl-2-methylphenyl) 2-methoxy-4-methylsulfanylbenzoate
CID 7920652
(4-tert-butyl-2-methylphenyl) 3-pyrrol-1-ylbenzoate
CID 9109345
[4-[2-[4-(2-chloropyridine-3-carbonyl)oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] 2-chloropyridine-3-carboxylate
CID 2402982
(4-tert-butyl-2-methylphenyl) 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2518632
[4-[2-(4-carbonobromidoyloxy-3-methylphenyl)propan-2-yl]-2-methylphenyl] carbonobromidate
CID 139838811
(2,4-ditert-butylphenyl) 3,5-ditert-butylbenzoate
CID 15501021
[4-[2-[4-(2-fluorobenzoyl)oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] 2-fluorobenzoate
CID 3090735

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate?
The IUPAC name of (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate (CID 7920650) is (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cn1.
What is the InChIKey of (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate?
The InChIKey is PFKNOGMOZAVSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-8-13(17(3,4)5)6-7-15(11)21-16(20)14-10-18-12(2)9-19-14/h6-10H,1-5H3.
What are the key properties of (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate?
(4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-methylphenyl) 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7920650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).