diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate

C18H22N2O5 — CID 167760051

IUPACdiethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)n(Cc2ccccc2COC)n1
InChIInChI=1S/C18H22N2O5/c1-4-24-17(21)15-10-16(18(22)25-5-2)20(19-15)11-13-8-6-7-9-14(13)12-23-3/h6-10H,4-5,11-12H2,1-3H3
InChIKeyFLZOSPDHCZEWDU-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.43
Rot. Bonds8

About diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate

diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate (PubChem CID 167760051) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate
PubChem CID167760051
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namediethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)n(Cc2ccccc2COC)n1
InChIInChI=1S/C18H22N2O5/c1-4-24-17(21)15-10-16(18(22)25-5-2)20(19-15)11-13-8-6-7-9-14(13)12-23-3/h6-10H,4-5,11-12H2,1-3H3
InChIKeyFLZOSPDHCZEWDU-UHFFFAOYSA-N
XLogP2.43
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate?
The IUPAC name of diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate (CID 167760051) is diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)n(Cc2ccccc2COC)n1.
What is the InChIKey of diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate?
The InChIKey is FLZOSPDHCZEWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-4-24-17(21)15-10-16(18(22)25-5-2)20(19-15)11-13-8-6-7-9-14(13)12-23-3/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate?
diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-[[2-(methoxymethyl)phenyl]methyl]pyrazole-3,5-dicarboxylate is sourced from PubChem (CID 167760051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).