[3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate

C14H14N2O5 — CID 139030502

IUPAC[3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate
SMILESCOC(=O)COc1cccc(COC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H14N2O5/c1-19-13(17)9-20-12-4-2-3-10(5-12)8-21-14(18)11-6-15-16-7-11/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyHARZTHMZNXIIKQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.32
Rot. Bonds6

About [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate

[3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate (PubChem CID 139030502) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name[3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate
PubChem CID139030502
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name[3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate
SMILESCOC(=O)COc1cccc(COC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H14N2O5/c1-19-13(17)9-20-12-4-2-3-10(5-12)8-21-14(18)11-6-15-16-7-11/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyHARZTHMZNXIIKQ-UHFFFAOYSA-N
XLogP1.32
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate?
The IUPAC name of [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate (CID 139030502) is [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate.
What is the SMILES notation for [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate?
The canonical SMILES for [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate is COC(=O)COc1cccc(COC(=O)c2cn[nH]c2)c1.
What is the InChIKey of [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate?
The InChIKey is HARZTHMZNXIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-19-13(17)9-20-12-4-2-3-10(5-12)8-21-14(18)11-6-15-16-7-11/h2-7H,8-9H2,1H3,(H,15,16).
What are the key properties of [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate?
[3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate is sourced from PubChem (CID 139030502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).