ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate

C15H19ClN2O3 — CID 163289733

IUPACethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCC.COC(=O)COc1cc(-c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C13H13ClN2O3.C2H6/c1-16-11(9-4-3-5-10(14)6-9)7-12(15-16)19-8-13(17)18-2;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyGAKVYFPBGGQQMT-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.32
Rot. Bonds4

About ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate

ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 163289733) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID163289733
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCC.COC(=O)COc1cc(-c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C13H13ClN2O3.C2H6/c1-16-11(9-4-3-5-10(14)6-9)7-12(15-16)19-8-13(17)18-2;1-2/h3-7H,8H2,1-2H3;1-2H3
InChIKeyGAKVYFPBGGQQMT-UHFFFAOYSA-N
XLogP3.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058272
methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
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
methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289746
ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197181
methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
CID 95922488
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913
methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
5-(3-chlorophenyl)-1-methylimidazole-2-carboxylic acid
CID 84699681

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate (CID 163289733) is ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate is CC.COC(=O)COc1cc(-c2cccc(Cl)c2)n(C)n1.
What is the InChIKey of ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is GAKVYFPBGGQQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3.C2H6/c1-16-11(9-4-3-5-10(14)6-9)7-12(15-16)19-8-13(17)18-2;1-2/h3-7H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 310.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 163289733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).