ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate

C17H18N2O4 — CID 163380072

IUPACethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OCc3ccnn3C)cc12
InChIInChI=1S/C17H18N2O4/c1-4-21-17(20)16-11(2)23-15-6-5-13(9-14(15)16)22-10-12-7-8-18-19(12)3/h5-9H,4,10H2,1-3H3
InChIKeyMSYXFOMCGFLULJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate

ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate (PubChem CID 163380072) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate
PubChem CID163380072
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2ccc(OCc3ccnn3C)cc12
InChIInChI=1S/C17H18N2O4/c1-4-21-17(20)16-11(2)23-15-6-5-13(9-14(15)16)22-10-12-7-8-18-19(12)3/h5-9H,4,10H2,1-3H3
InChIKeyMSYXFOMCGFLULJ-UHFFFAOYSA-N
XLogP3.23
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380170
ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
ethyl 5-[(2-chloro-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 163380731
ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
CID 170347431
ethyl 5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 702026
N-[2-formyl-1-hydroxy-4-(methylamino)butan-2-yl]-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380885
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447
ethyl 5-[(2,2-difluorocyclopropyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 170347607
2-methoxyethyl 2-methyl-5-[(4-methylphenyl)methoxy]-1-benzofuran-3-carboxylate
CID 2016192
ethane;2-methyl-5-[(1-methylimidazol-2-yl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380236
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate (CID 163380072) is ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2ccc(OCc3ccnn3C)cc12.
What is the InChIKey of ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate?
The InChIKey is MSYXFOMCGFLULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-21-17(20)16-11(2)23-15-6-5-13(9-14(15)16)22-10-12-7-8-18-19(12)3/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate?
ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 163380072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).