ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate

C14H15ClN2O3 — CID 167058272

IUPACethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C14H15ClN2O3/c1-3-19-14(18)9-20-13-8-12(17(2)16-13)10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3
InChIKeyLIRWXELHBLWHDX-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.68
Rot. Bonds5

About ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate

ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 167058272) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID167058272
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C14H15ClN2O3/c1-3-19-14(18)9-20-13-8-12(17(2)16-13)10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3
InChIKeyLIRWXELHBLWHDX-UHFFFAOYSA-N
XLogP2.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289733
ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197181
ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
CID 174197140
propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197202
ethyl 2-[5-(5-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 174197848
ethyl 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)pyrazol-1-yl]acetate
CID 90451225
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
1,3-diamino-1-[2-[[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]oxymethyl]-3-methylphenyl]-3-methylurea
CID 155236372
ethyl 7-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200618
methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197193
ethyl 2-pyrazolo[1,5-a]pyridin-2-yloxyacetate
CID 22402125
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate (CID 167058272) is ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate is CCOC(=O)COc1cc(-c2cccc(Cl)c2)n(C)n1.
What is the InChIKey of ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is LIRWXELHBLWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-19-14(18)9-20-13-8-12(17(2)16-13)10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 294.74 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 167058272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).