ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate

C18H22N2O4 — CID 166249437

IUPACethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(CC2CCCO2)n1
InChIInChI=1S/C18H22N2O4/c1-3-23-18(21)16-11-17(13-6-8-14(22-2)9-7-13)20(19-16)12-15-5-4-10-24-15/h6-9,11,15H,3-5,10,12H2,1-2H3
InChIKeyDBWLVGYVBKGULJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.91
Rot. Bonds6

About ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate

ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate (PubChem CID 166249437) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate
PubChem CID166249437
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(CC2CCCO2)n1
InChIInChI=1S/C18H22N2O4/c1-3-23-18(21)16-11-17(13-6-8-14(22-2)9-7-13)20(19-16)12-15-5-4-10-24-15/h6-9,11,15H,3-5,10,12H2,1-2H3
InChIKeyDBWLVGYVBKGULJ-UHFFFAOYSA-N
XLogP2.91
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate (CID 166249437) is ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CC2CCCO2)n1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
The InChIKey is DBWLVGYVBKGULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-18(21)16-11-17(13-6-8-14(22-2)9-7-13)20(19-16)12-15-5-4-10-24-15/h6-9,11,15H,3-5,10,12H2,1-2H3.
What are the key properties of ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate?
ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 166249437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).