methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate

C17H20N2O2 — CID 134080788

IUPACmethyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate
SMILESCOC(=O)c1ccc(C(c2cnccn2)C(C)(C)C)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)15(14-11-18-9-10-19-14)12-5-7-13(8-6-12)16(20)21-4/h5-11,15H,1-4H3
InChIKeyRNFKNAYOGXVGDM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.44
Rot. Bonds3

About methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate

methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate (PubChem CID 134080788) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate
PubChem CID134080788
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namemethyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate
SMILESCOC(=O)c1ccc(C(c2cnccn2)C(C)(C)C)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)15(14-11-18-9-10-19-14)12-5-7-13(8-6-12)16(20)21-4/h5-11,15H,1-4H3
InChIKeyRNFKNAYOGXVGDM-UHFFFAOYSA-N
XLogP3.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoic acid
CID 134080787
methyl 4-(2,2-dimethyl-1-pyridin-4-ylpropyl)benzoate
CID 134080804
methyl 4-[2,2-dimethyl-1-[4-(1-pyrimidin-2-ylpropoxy)phenyl]propyl]benzoate
CID 59416637
2-(4-methoxycarbonylphenyl)-3,3-dimethylbutanoic acid
CID 67204122
methyl 6-[1-[4-[6-(2,5-dimethylpyrrol-1-yl)pyridazin-3-yl]phenyl]-2,2-dimethylpropyl]pyridine-3-carboxylate
CID 59393676
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
methyl 4-[hydroxy-[3-(methoxymethoxy)-4-pyridinyl]methyl]benzoate
CID 69220240
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]benzoate
CID 132514950
(111C)methyl pyridine-3-carboxylate
CID 11309537
4-methoxy-3-(1-pyrazin-2-ylethoxy)benzoic acid
CID 117053846
methyl 4-[(1S)-2-amino-1-hydroxyethyl]benzoate
CID 94590796

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate?
The IUPAC name of methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate (CID 134080788) is methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate.
What is the SMILES notation for methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate?
The canonical SMILES for methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate is COC(=O)c1ccc(C(c2cnccn2)C(C)(C)C)cc1.
What is the InChIKey of methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate?
The InChIKey is RNFKNAYOGXVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)15(14-11-18-9-10-19-14)12-5-7-13(8-6-12)16(20)21-4/h5-11,15H,1-4H3.
What are the key properties of methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate?
methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethyl-1-pyrazin-2-ylpropyl)benzoate is sourced from PubChem (CID 134080788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).