methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate

C14H11ClN6O2 — CID 23143406

IUPACmethyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(C)cn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C14H11ClN6O2/c1-8-6-17-10(7-16-8)11-5-9(14(22)23-2)20-21(11)13-4-3-12(15)18-19-13/h3-7H,1-2H3
InChIKeyMRXRPOFHITYCRW-UHFFFAOYSA-N
MW330.74 g/mol
LogP1.87
Rot. Bonds3

About methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate

methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate (PubChem CID 23143406) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate
PubChem CID23143406
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Namemethyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(C)cn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C14H11ClN6O2/c1-8-6-17-10(7-16-8)11-5-9(14(22)23-2)20-21(11)13-4-3-12(15)18-19-13/h3-7H,1-2H3
InChIKeyMRXRPOFHITYCRW-UHFFFAOYSA-N
XLogP1.87
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate (CID 23143406) is methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate is COC(=O)c1cc(-c2cnc(C)cn2)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate?
The InChIKey is MRXRPOFHITYCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c1-8-6-17-10(7-16-8)11-5-9(14(22)23-2)20-21(11)13-4-3-12(15)18-19-13/h3-7H,1-2H3.
What are the key properties of methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate?
methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate has a molecular weight of 330.74 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-chloropyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 23143406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).