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

C14H16ClN3O3 — CID 174197202

IUPACpropyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCCOC(=O)COc1cc(-c2ccc(Cl)cn2)n(C)n1
InChIInChI=1S/C14H16ClN3O3/c1-3-6-20-14(19)9-21-13-7-12(18(2)17-13)11-5-4-10(15)8-16-11/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyHDCNYXORMVSRAR-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.47
Rot. Bonds6

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

propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 174197202) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Namepropyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID174197202
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Namepropyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCCOC(=O)COc1cc(-c2ccc(Cl)cn2)n(C)n1
InChIInChI=1S/C14H16ClN3O3/c1-3-6-20-14(19)9-21-13-7-12(18(2)17-13)11-5-4-10(15)8-16-11/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyHDCNYXORMVSRAR-UHFFFAOYSA-N
XLogP2.47
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (CID 174197202) is propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is CCCOC(=O)COc1cc(-c2ccc(Cl)cn2)n(C)n1.
What is the InChIKey of propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is HDCNYXORMVSRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-3-6-20-14(19)9-21-13-7-12(18(2)17-13)11-5-4-10(15)8-16-11/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 309.75 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 174197202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).