2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

C17H16N2O3S — CID 27914141

IUPAC2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCOCCOC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H16N2O3S/c1-21-9-10-22-17(20)14-12-19(13-6-3-2-4-7-13)18-16(14)15-8-5-11-23-15/h2-8,11-12H,9-10H2,1H3
InChIKeyJJRDSLSDIZYHCY-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.40
Rot. Bonds6

About 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (PubChem CID 27914141) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
PubChem CID27914141
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCOCCOC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C17H16N2O3S/c1-21-9-10-22-17(20)14-12-19(13-6-3-2-4-7-13)18-16(14)15-8-5-11-23-15/h2-8,11-12H,9-10H2,1H3
InChIKeyJJRDSLSDIZYHCY-UHFFFAOYSA-N
XLogP3.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176
cyanomethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579298
N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282155
bis(2-methoxyethyl) 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 2873581
[2-(4-acetamidoanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530570
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 9339873
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530567
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530551
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 25461566

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The IUPAC name of 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (CID 27914141) is 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is COCCOC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The InChIKey is JJRDSLSDIZYHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-9-10-22-17(20)14-12-19(13-6-3-2-4-7-13)18-16(14)15-8-5-11-23-15/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 27914141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).