ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate

C15H16N2O5 — CID 711197

IUPACethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2cc(O)c(C(=O)OCC)n2)cc1
InChIInChI=1S/C15H16N2O5/c1-3-21-14(19)10-5-7-11(8-6-10)17-9-12(18)13(16-17)15(20)22-4-2/h5-9,18H,3-4H2,1-2H3
InChIKeyIZERRSBYQKFWKA-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.93
Rot. Bonds5

About ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate

ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate (PubChem CID 711197) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate
PubChem CID711197
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Nameethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2cc(O)c(C(=O)OCC)n2)cc1
InChIInChI=1S/C15H16N2O5/c1-3-21-14(19)10-5-7-11(8-6-10)17-9-12(18)13(16-17)15(20)22-4-2/h5-9,18H,3-4H2,1-2H3
InChIKeyIZERRSBYQKFWKA-UHFFFAOYSA-N
XLogP1.93
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate (CID 711197) is ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate is CCOC(=O)c1ccc(-n2cc(O)c(C(=O)OCC)n2)cc1.
What is the InChIKey of ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate?
The InChIKey is IZERRSBYQKFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-3-21-14(19)10-5-7-11(8-6-10)17-9-12(18)13(16-17)15(20)22-4-2/h5-9,18H,3-4H2,1-2H3.
What are the key properties of ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate?
ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethoxycarbonylphenyl)-4-hydroxypyrazole-3-carboxylate is sourced from PubChem (CID 711197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).