methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate

C18H16N4O4 — CID 173238614

IUPACmethyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)nc1-c1cnc(C(=O)OC)cn1
InChIInChI=1S/C18H16N4O4/c1-3-26-17(23)13-11-22(12-7-5-4-6-8-12)21-16(13)14-9-20-15(10-19-14)18(24)25-2/h4-11H,3H2,1-2H3
InChIKeyVNMCRASMXXUWGU-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.29
Rot. Bonds5

About methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate

methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate (PubChem CID 173238614) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate
PubChem CID173238614
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Namemethyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)nc1-c1cnc(C(=O)OC)cn1
InChIInChI=1S/C18H16N4O4/c1-3-26-17(23)13-11-22(12-7-5-4-6-8-12)21-16(13)14-9-20-15(10-19-14)18(24)25-2/h4-11H,3H2,1-2H3
InChIKeyVNMCRASMXXUWGU-UHFFFAOYSA-N
XLogP2.29
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
ethyl 1-phenyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)pyrazole-4-carboxylate
CID 163934460
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7806845
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7847187
ethyl 3-[2-(N-methylanilino)-4-phenyl-1,3-thiazol-5-yl]-1-phenylpyrazole-4-carboxylate
CID 73347700
[2-oxo-2-(propylamino)ethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796835

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate (CID 173238614) is methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate is CCOC(=O)c1cn(-c2ccccc2)nc1-c1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate?
The InChIKey is VNMCRASMXXUWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-3-26-17(23)13-11-22(12-7-5-4-6-8-12)21-16(13)14-9-20-15(10-19-14)18(24)25-2/h4-11H,3H2,1-2H3.
What are the key properties of methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate?
methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethoxycarbonyl-1-phenylpyrazol-3-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 173238614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).