N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H17F4N5O3 — CID 39489825

IUPACN-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCCCOc3ccccc3F)c2C(F)(F)F)nn1
InChIInChI=1S/C19H17F4N5O3/c1-30-16-8-7-15(26-27-16)28-17(19(21,22)23)12(11-25-28)18(29)24-9-4-10-31-14-6-3-2-5-13(14)20/h2-3,5-8,11H,4,9-10H2,1H3,(H,24,29)
InChIKeyGDEBDBNATXSJKB-UHFFFAOYSA-N
MW439.37 g/mol
LogP3.03
Rot. Bonds8

About N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 39489825) has the molecular formula C19H17F4N5O3 and a molecular weight of 439.37 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID39489825
Molecular FormulaC19H17F4N5O3
Molecular Weight439.37 g/mol
Exact Mass439.13
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCCCOc3ccccc3F)c2C(F)(F)F)nn1
InChIInChI=1S/C19H17F4N5O3/c1-30-16-8-7-15(26-27-16)28-17(19(21,22)23)12(11-25-28)18(29)24-9-4-10-31-14-6-3-2-5-13(14)20/h2-3,5-8,11H,4,9-10H2,1H3,(H,24,29)
InChIKeyGDEBDBNATXSJKB-UHFFFAOYSA-N
XLogP3.03
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxypyridazin-3-yl)-N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55555860
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877
1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55543995
1-(6-methoxypyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46407497
1-(6-methoxypyridazin-3-yl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55721930
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56578128
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46556912
N-[(3-bromo-5-fluorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55907787
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 39489825) is N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)NCCCOc3ccccc3F)c2C(F)(F)F)nn1.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GDEBDBNATXSJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O3/c1-30-16-8-7-15(26-27-16)28-17(19(21,22)23)12(11-25-28)18(29)24-9-4-10-31-14-6-3-2-5-13(14)20/h2-3,5-8,11H,4,9-10H2,1H3,(H,24,29).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 439.37 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 39489825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).