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

C18H14Cl2F3N5O2 — CID 46530909

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NC(C)c3ccc(Cl)cc3Cl)c2C(F)(F)F)nn1
InChIInChI=1S/C18H14Cl2F3N5O2/c1-9(11-4-3-10(19)7-13(11)20)25-17(29)12-8-24-28(16(12)18(21,22)23)14-5-6-15(30-2)27-26-14/h3-9H,1-2H3,(H,25,29)
InChIKeyNGUYYCTZVMSUEJ-UHFFFAOYSA-N
MW460.24 g/mol
LogP4.49
Rot. Bonds5

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

N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46530909) has the molecular formula C18H14Cl2F3N5O2 and a molecular weight of 460.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46530909
Molecular FormulaC18H14Cl2F3N5O2
Molecular Weight460.24 g/mol
Exact Mass459.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NC(C)c3ccc(Cl)cc3Cl)c2C(F)(F)F)nn1
InChIInChI=1S/C18H14Cl2F3N5O2/c1-9(11-4-3-10(19)7-13(11)20)25-17(29)12-8-24-28(16(12)18(21,22)23)14-5-6-15(30-2)27-26-14/h3-9H,1-2H3,(H,25,29)
InChIKeyNGUYYCTZVMSUEJ-UHFFFAOYSA-N
XLogP4.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(6-methoxypyridazin-3-yl)-N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55555860
N-[3-(3-chlorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55897298
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39489825
N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55455226
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39040319
methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 47837666
N-[4-(azepan-1-yl)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55545330
N-[[4-(ethoxymethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37357760

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46530909) is N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)NC(C)c3ccc(Cl)cc3Cl)c2C(F)(F)F)nn1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NGUYYCTZVMSUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N5O2/c1-9(11-4-3-10(19)7-13(11)20)25-17(29)12-8-24-28(16(12)18(21,22)23)14-5-6-15(30-2)27-26-14/h3-9H,1-2H3,(H,25,29).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 460.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46530909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).