4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine

C17H18FN5O2 — CID 77426018

IUPAC4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine
SMILESCOc1ccc(F)cc1C(C)Oc1cc(-c2ccnn2C)nnc1N
InChIInChI=1S/C17H18FN5O2/c1-10(12-8-11(18)4-5-15(12)24-3)25-16-9-13(21-22-17(16)19)14-6-7-20-23(14)2/h4-10H,1-3H3,(H2,19,22)
InChIKeyOJXPRPZJJOOXTD-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.75
Rot. Bonds5

About 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine

4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine (PubChem CID 77426018) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine
PubChem CID77426018
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine
SMILESCOc1ccc(F)cc1C(C)Oc1cc(-c2ccnn2C)nnc1N
InChIInChI=1S/C17H18FN5O2/c1-10(12-8-11(18)4-5-15(12)24-3)25-16-9-13(21-22-17(16)19)14-6-7-20-23(14)2/h4-10H,1-3H3,(H2,19,22)
InChIKeyOJXPRPZJJOOXTD-UHFFFAOYSA-N
XLogP2.75
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine?
The IUPAC name of 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine (CID 77426018) is 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine.
What is the SMILES notation for 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine?
The canonical SMILES for 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine is COc1ccc(F)cc1C(C)Oc1cc(-c2ccnn2C)nnc1N.
What is the InChIKey of 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine?
The InChIKey is OJXPRPZJJOOXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-10(12-8-11(18)4-5-15(12)24-3)25-16-9-13(21-22-17(16)19)14-6-7-20-23(14)2/h4-10H,1-3H3,(H2,19,22).
What are the key properties of 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine?
4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine has a molecular weight of 343.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-methoxyphenyl)ethoxy]-6-(2-methylpyrazol-3-yl)pyridazin-3-amine is sourced from PubChem (CID 77426018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).