5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate

C15H18N2O4 — CID 2900841

IUPAC5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate
SMILESCCOC(=O)C1=NN(c2ccc(C)cc2)CC1C(=O)OC
InChIInChI=1S/C15H18N2O4/c1-4-21-15(19)13-12(14(18)20-3)9-17(16-13)11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3
InChIKeyJFHCGUPXYCSUKX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.52
Rot. Bonds4

About 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate

5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate (PubChem CID 2900841) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate
PubChem CID2900841
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate
SMILESCCOC(=O)C1=NN(c2ccc(C)cc2)CC1C(=O)OC
InChIInChI=1S/C15H18N2O4/c1-4-21-15(19)13-12(14(18)20-3)9-17(16-13)11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3
InChIKeyJFHCGUPXYCSUKX-UHFFFAOYSA-N
XLogP1.52
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate (CID 2900841) is 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate is CCOC(=O)C1=NN(c2ccc(C)cc2)CC1C(=O)OC.
What is the InChIKey of 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate?
The InChIKey is JFHCGUPXYCSUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-21-15(19)13-12(14(18)20-3)9-17(16-13)11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3.
What are the key properties of 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate?
5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 4-O-methyl 2-(4-methylphenyl)-3,4-dihydropyrazole-4,5-dicarboxylate is sourced from PubChem (CID 2900841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).