1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H20F3N5O3 — CID 55543995

IUPAC1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)N(C)CCOc3ccccc3C)c2C(F)(F)F)nn1
InChIInChI=1S/C20H20F3N5O3/c1-13-6-4-5-7-15(13)31-11-10-27(2)19(29)14-12-24-28(18(14)20(21,22)23)16-8-9-17(30-3)26-25-16/h4-9,12H,10-11H2,1-3H3
InChIKeyOYHLJKXMXGUPPW-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.15
Rot. Bonds7

About 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55543995) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55543995
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)N(C)CCOc3ccccc3C)c2C(F)(F)F)nn1
InChIInChI=1S/C20H20F3N5O3/c1-13-6-4-5-7-15(13)31-11-10-27(2)19(29)14-12-24-28(18(14)20(21,22)23)16-8-9-17(30-3)26-25-16/h4-9,12H,10-11H2,1-3H3
InChIKeyOYHLJKXMXGUPPW-UHFFFAOYSA-N
XLogP3.15
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55897298
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39489825
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-methoxypyridazin-3-yl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42944074
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55858499
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55544999
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877
1-(6-methoxypyridazin-3-yl)-N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55555860
(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55850480
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143
1-(6-methoxypyridazin-3-yl)-N-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86919850
1-(6-methoxypyridazin-3-yl)-N-(4-phenylbutan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46418578

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55543995) is 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)N(C)CCOc3ccccc3C)c2C(F)(F)F)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OYHLJKXMXGUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-13-6-4-5-7-15(13)31-11-10-27(2)19(29)14-12-24-28(18(14)20(21,22)23)16-8-9-17(30-3)26-25-16/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55543995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).