1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C23H19F3N6O3 — CID 55901508

IUPAC1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCc3ccc(OCc4ccccn4)cc3)c2C(F)(F)F)nn1
InChIInChI=1S/C23H19F3N6O3/c1-34-20-10-9-19(30-31-20)32-21(23(24,25)26)18(13-29-32)22(33)28-12-15-5-7-17(8-6-15)35-14-16-4-2-3-11-27-16/h2-11,13H,12,14H2,1H3,(H,28,33)
InChIKeyGNUHIQVSXCJNRM-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.59
Rot. Bonds8

About 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55901508) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55901508
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCc3ccc(OCc4ccccn4)cc3)c2C(F)(F)F)nn1
InChIInChI=1S/C23H19F3N6O3/c1-34-20-10-9-19(30-31-20)32-21(23(24,25)26)18(13-29-32)22(33)28-12-15-5-7-17(8-6-15)35-14-16-4-2-3-11-27-16/h2-11,13H,12,14H2,1H3,(H,28,33)
InChIKeyGNUHIQVSXCJNRM-UHFFFAOYSA-N
XLogP3.59
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55858499
N-[[4-(ethoxymethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37357760
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
N-[(3-bromo-5-fluorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55907787
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39489825
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51129061
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
1-(6-methoxypyridazin-3-yl)-N-(4-phenylbutan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46418578
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877
methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55901508) is 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)NCc3ccc(OCc4ccccn4)cc3)c2C(F)(F)F)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GNUHIQVSXCJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c1-34-20-10-9-19(30-31-20)32-21(23(24,25)26)18(13-29-32)22(33)28-12-15-5-7-17(8-6-15)35-14-16-4-2-3-11-27-16/h2-11,13H,12,14H2,1H3,(H,28,33).
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55901508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).