ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate

C13H15N5O3 — CID 81497181

IUPACethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate
SMILESCCNC(=O)c1ccc(-n2cc(C(=O)OCC)cn2)nn1
InChIInChI=1S/C13H15N5O3/c1-3-14-12(19)10-5-6-11(17-16-10)18-8-9(7-15-18)13(20)21-4-2/h5-8H,3-4H2,1-2H3,(H,14,19)
InChIKeyCYTLYKHSLUMWNH-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.59
Rot. Bonds5

About ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate

ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate (PubChem CID 81497181) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate
PubChem CID81497181
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Nameethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate
SMILESCCNC(=O)c1ccc(-n2cc(C(=O)OCC)cn2)nn1
InChIInChI=1S/C13H15N5O3/c1-3-14-12(19)10-5-6-11(17-16-10)18-8-9(7-15-18)13(20)21-4-2/h5-8H,3-4H2,1-2H3,(H,14,19)
InChIKeyCYTLYKHSLUMWNH-UHFFFAOYSA-N
XLogP0.59
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate (CID 81497181) is ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate is CCNC(=O)c1ccc(-n2cc(C(=O)OCC)cn2)nn1.
What is the InChIKey of ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate?
The InChIKey is CYTLYKHSLUMWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-14-12(19)10-5-6-11(17-16-10)18-8-9(7-15-18)13(20)21-4-2/h5-8H,3-4H2,1-2H3,(H,14,19).
What are the key properties of ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate?
ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate has a molecular weight of 289.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 81497181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).