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

C13H14ClN3O3 — CID 174197181

IUPACethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cncc(Cl)c2)n(C)n1
InChIInChI=1S/C13H14ClN3O3/c1-3-19-13(18)8-20-12-5-11(17(2)16-12)9-4-10(14)7-15-6-9/h4-7H,3,8H2,1-2H3
InChIKeyDNDKQYFRFHPVJH-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.08
Rot. Bonds5

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

ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 174197181) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID174197181
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Nameethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cncc(Cl)c2)n(C)n1
InChIInChI=1S/C13H14ClN3O3/c1-3-19-13(18)8-20-12-5-11(17(2)16-12)9-4-10(14)7-15-6-9/h4-7H,3,8H2,1-2H3
InChIKeyDNDKQYFRFHPVJH-UHFFFAOYSA-N
XLogP2.08
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058272
ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
CID 174197140
methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate
CID 163289689
propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197202
ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289733
ethyl 2-[5-(5-chloro-2-pyridinyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 174197848
methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
CID 46901523
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283
oxolan-2-ylmethyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197198
ethyl 2-[[5-(3-chloro-4-pyridinyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetate
CID 170442342
ethyl 2-[(1-hydroxy-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)oxy]acetate
CID 170443279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (CID 174197181) is ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is CCOC(=O)COc1cc(-c2cncc(Cl)c2)n(C)n1.
What is the InChIKey of ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is DNDKQYFRFHPVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-3-19-13(18)8-20-12-5-11(17(2)16-12)9-4-10(14)7-15-6-9/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 295.73 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 174197181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).