methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate

C13H15ClN4O2 — CID 62096373

IUPACmethyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(-c2ccc(Cl)nn2)c1C
InChIInChI=1S/C13H15ClN4O2/c1-7(13(19)20-4)12-8(2)17-18(9(12)3)11-6-5-10(14)15-16-11/h5-7H,1-4H3
InChIKeyMKOZUZLWWLGGJL-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.21
Rot. Bonds3

About methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate

methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate (PubChem CID 62096373) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate
PubChem CID62096373
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Namemethyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(-c2ccc(Cl)nn2)c1C
InChIInChI=1S/C13H15ClN4O2/c1-7(13(19)20-4)12-8(2)17-18(9(12)3)11-6-5-10(14)15-16-11/h5-7H,1-4H3
InChIKeyMKOZUZLWWLGGJL-UHFFFAOYSA-N
XLogP2.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
The IUPAC name of methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate (CID 62096373) is methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
The canonical SMILES for methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate is COC(=O)C(C)c1c(C)nn(-c2ccc(Cl)nn2)c1C.
What is the InChIKey of methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
The InChIKey is MKOZUZLWWLGGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7(13(19)20-4)12-8(2)17-18(9(12)3)11-6-5-10(14)15-16-11/h5-7H,1-4H3.
What are the key properties of methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate has a molecular weight of 294.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-chloropyridazin-3-yl)-3,5-dimethylpyrazol-4-yl]propanoate is sourced from PubChem (CID 62096373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).