N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C18H11F3N6O2 — CID 100729318

IUPACN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H11F3N6O2/c19-18(20,21)17-24-15(27-29-17)11-2-1-3-12(8-11)16(28)23-14-9-13(25-26-14)10-4-6-22-7-5-10/h1-9H,(H2,23,25,26,28)
InChIKeyHVIMWKWDOIGEPX-UHFFFAOYSA-N
MW400.32 g/mol
LogP3.79
Rot. Bonds4

About N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 100729318) has the molecular formula C18H11F3N6O2 and a molecular weight of 400.32 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID100729318
Molecular FormulaC18H11F3N6O2
Molecular Weight400.32 g/mol
Exact Mass400.09
IUPAC NameN-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H11F3N6O2/c19-18(20,21)17-24-15(27-29-17)11-2-1-3-12(8-11)16(28)23-14-9-13(25-26-14)10-4-6-22-7-5-10/h1-9H,(H2,23,25,26,28)
InChIKeyHVIMWKWDOIGEPX-UHFFFAOYSA-N
XLogP3.79
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753100
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489766
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
[4-(pyridine-2-carbonyl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 67325900
1-propan-2-yl-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 54470353
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11357624
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 71487667
N-[2-methyl-2-(3-phenylphenyl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 67379157
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 100729318) is N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is HVIMWKWDOIGEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6O2/c19-18(20,21)17-24-15(27-29-17)11-2-1-3-12(8-11)16(28)23-14-9-13(25-26-14)10-4-6-22-7-5-10/h1-9H,(H2,23,25,26,28).
What are the key properties of N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 400.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 100729318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).