ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate

C13H14N2O4 — CID 730287

IUPACethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(OC)cc2)cc1O
InChIInChI=1S/C13H14N2O4/c1-3-19-13(17)12-11(16)8-15(14-12)9-4-6-10(18-2)7-5-9/h4-8,16H,3H2,1-2H3
InChIKeyDEAWYDZTIUXURF-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.76
Rot. Bonds4

About ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate

ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate (PubChem CID 730287) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate
PubChem CID730287
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(OC)cc2)cc1O
InChIInChI=1S/C13H14N2O4/c1-3-19-13(17)12-11(16)8-15(14-12)9-4-6-10(18-2)7-5-9/h4-8,16H,3H2,1-2H3
InChIKeyDEAWYDZTIUXURF-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate (CID 730287) is ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(OC)cc2)cc1O.
What is the InChIKey of ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is DEAWYDZTIUXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-19-13(17)12-11(16)8-15(14-12)9-4-6-10(18-2)7-5-9/h4-8,16H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate?
ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 730287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).