methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate

C14H18N4O2 — CID 62095676

IUPACmethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(-c2ccc(C)nn2)c1C
InChIInChI=1S/C14H18N4O2/c1-8-6-7-12(16-15-8)18-11(4)13(10(3)17-18)9(2)14(19)20-5/h6-7,9H,1-5H3
InChIKeyUFDBUTAEXNWVSA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate

methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate (PubChem CID 62095676) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate
PubChem CID62095676
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(-c2ccc(C)nn2)c1C
InChIInChI=1S/C14H18N4O2/c1-8-6-7-12(16-15-8)18-11(4)13(10(3)17-18)9(2)14(19)20-5/h6-7,9H,1-5H3
InChIKeyUFDBUTAEXNWVSA-UHFFFAOYSA-N
XLogP1.86
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The IUPAC name of methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate (CID 62095676) is methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The canonical SMILES for methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate is COC(=O)C(C)c1c(C)nn(-c2ccc(C)nn2)c1C.
What is the InChIKey of methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The InChIKey is UFDBUTAEXNWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-6-7-12(16-15-8)18-11(4)13(10(3)17-18)9(2)14(19)20-5/h6-7,9H,1-5H3.
What are the key properties of methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate has a molecular weight of 274.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate is sourced from PubChem (CID 62095676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).