ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate

C11H9ClN6O2 — CID 11859035

IUPACethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)nn2)c(N)c1C#N
InChIInChI=1S/C11H9ClN6O2/c1-2-20-11(19)9-6(5-13)10(14)18(17-9)8-4-3-7(12)15-16-8/h3-4H,2,14H2,1H3
InChIKeyDHWQDEZIASZMFE-UHFFFAOYSA-N
MW292.69 g/mol
LogP0.95
Rot. Bonds3

About ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate

ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate (PubChem CID 11859035) has the molecular formula C11H9ClN6O2 and a molecular weight of 292.69 g/mol. Its IUPAC name is ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate
PubChem CID11859035
Molecular FormulaC11H9ClN6O2
Molecular Weight292.69 g/mol
Exact Mass292.05
IUPAC Nameethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(Cl)nn2)c(N)c1C#N
InChIInChI=1S/C11H9ClN6O2/c1-2-20-11(19)9-6(5-13)10(14)18(17-9)8-4-3-7(12)15-16-8/h3-4H,2,14H2,1H3
InChIKeyDHWQDEZIASZMFE-UHFFFAOYSA-N
XLogP0.95
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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ethyl 5-amino-1-(3-bromophenyl)-4-cyanopyrazole-3-carboxylate
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ethyl 5-amino-1-tert-butyl-4-cyanopyrazole-3-carboxylate
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ethyl 5-amino-1-(6-chloropyridazin-3-yl)-6-oxo-1,2,4-triazine-3-carboxylate
CID 16779162
ethyl 4-amino-5-cyano-1-phenylpyrazole-3-carboxylate
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ethyl 5-amino-1-[(4-cyanophenyl)methyl]imidazole-4-carboxylate
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ethyl 5-cyano-4-methyl-1-[4-(methylamino)phenyl]-6-oxopyridazine-3-carboxylate
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ethyl 4-amino-1-(3-chloro-2-cyanophenyl)pyrazole-3-carboxylate
CID 107346828
ethyl 5-cyano-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxylate
CID 709551
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CID 82222745

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate (CID 11859035) is ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(Cl)nn2)c(N)c1C#N.
What is the InChIKey of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate?
The InChIKey is DHWQDEZIASZMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O2/c1-2-20-11(19)9-6(5-13)10(14)18(17-9)8-4-3-7(12)15-16-8/h3-4H,2,14H2,1H3.
What are the key properties of ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate?
ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate has a molecular weight of 292.69 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(6-chloropyridazin-3-yl)-4-cyanopyrazole-3-carboxylate is sourced from PubChem (CID 11859035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).