methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate

C15H18N2O3 — CID 163289746

IUPACmethyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCc1ccccc1-c1cc(OCC(=O)OC)nn1C
InChIInChI=1S/C15H18N2O3/c1-4-11-7-5-6-8-12(11)13-9-14(16-17(13)2)20-10-15(18)19-3/h5-9H,4,10H2,1-3H3
InChIKeyLWUSCMHBCCAIKQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.20
Rot. Bonds5

About methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate

methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 163289746) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID163289746
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCc1ccccc1-c1cc(OCC(=O)OC)nn1C
InChIInChI=1S/C15H18N2O3/c1-4-11-7-5-6-8-12(11)13-9-14(16-17(13)2)20-10-15(18)19-3/h5-9H,4,10H2,1-3H3
InChIKeyLWUSCMHBCCAIKQ-UHFFFAOYSA-N
XLogP2.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289733
methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197193
methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate
CID 163289689
ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058272
methyl 2-pyridin-2-yloxyacetate
CID 45091085
methyl 2-[5-(2-fluoro-4-methylphenyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 163289752
methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate
CID 806216
methyl 2-[2-(4-formyl-1-methylpyrazol-3-yl)phenoxy]acetate
CID 104508656
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167065109
methyl 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-methylpyrazol-4-yl]methyl]phenoxy]acetate
CID 166101667

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate (CID 163289746) is methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate is CCc1ccccc1-c1cc(OCC(=O)OC)nn1C.
What is the InChIKey of methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is LWUSCMHBCCAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-11-7-5-6-8-12(11)13-9-14(16-17(13)2)20-10-15(18)19-3/h5-9H,4,10H2,1-3H3.
What are the key properties of methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate?
methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 274.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 163289746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).