ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate

C15H18N2O6 — CID 125039041

IUPACethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C15H18N2O6/c1-5-23-15(19)13-10(18)8-17(16-13)9-6-11(20-2)14(22-4)12(7-9)21-3/h6-8,18H,5H2,1-4H3
InChIKeyJOWIZRSVBNGCOU-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.78
Rot. Bonds6

About ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate

ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate (PubChem CID 125039041) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate
PubChem CID125039041
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Nameethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C15H18N2O6/c1-5-23-15(19)13-10(18)8-17(16-13)9-6-11(20-2)14(22-4)12(7-9)21-3/h6-8,18H,5H2,1-4H3
InChIKeyJOWIZRSVBNGCOU-UHFFFAOYSA-N
XLogP1.78
TPSA92.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate (CID 125039041) is ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate?
The InChIKey is JOWIZRSVBNGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-5-23-15(19)13-10(18)8-17(16-13)9-6-11(20-2)14(22-4)12(7-9)21-3/h6-8,18H,5H2,1-4H3.
What are the key properties of ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate?
ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 125039041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).