ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate

C15H12ClN5O2 — CID 23143463

IUPACethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C15H12ClN5O2/c1-2-23-15(22)11-9-12(10-5-3-4-8-17-10)21(20-11)14-7-6-13(16)18-19-14/h3-9H,2H2,1H3
InChIKeyDAGAKJRIYYQCST-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.55
Rot. Bonds4

About ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate

ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate (PubChem CID 23143463) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate
PubChem CID23143463
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Nameethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C15H12ClN5O2/c1-2-23-15(22)11-9-12(10-5-3-4-8-17-10)21(20-11)14-7-6-13(16)18-19-14/h3-9H,2H2,1H3
InChIKeyDAGAKJRIYYQCST-UHFFFAOYSA-N
XLogP2.55
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate (CID 23143463) is ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
The InChIKey is DAGAKJRIYYQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-2-23-15(22)11-9-12(10-5-3-4-8-17-10)21(20-11)14-7-6-13(16)18-19-14/h3-9H,2H2,1H3.
What are the key properties of ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate has a molecular weight of 329.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 23143463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).