ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate

C16H12Cl2N4O2 — CID 73345908

IUPACethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C16H12Cl2N4O2/c1-2-24-16(23)12-9-13(10-3-5-11(17)6-4-10)22(21-12)15-8-7-14(18)19-20-15/h3-9H,2H2,1H3
InChIKeyCZPWGPOAWKVZFA-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.81
Rot. Bonds4

About ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate

ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate (PubChem CID 73345908) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate
PubChem CID73345908
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC Nameethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C16H12Cl2N4O2/c1-2-24-16(23)12-9-13(10-3-5-11(17)6-4-10)22(21-12)15-8-7-14(18)19-20-15/h3-9H,2H2,1H3
InChIKeyCZPWGPOAWKVZFA-UHFFFAOYSA-N
XLogP3.81
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate (CID 73345908) is ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate?
The InChIKey is CZPWGPOAWKVZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c1-2-24-16(23)12-9-13(10-3-5-11(17)6-4-10)22(21-12)15-8-7-14(18)19-20-15/h3-9H,2H2,1H3.
What are the key properties of ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate?
ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate has a molecular weight of 363.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 73345908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).