N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H19F3N6O3 — CID 155271761

IUPACN-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C(=O)N(C)C)c2)no1
InChIInChI=1S/C19H19F3N6O3/c1-10(23-16(29)13-9-14(19(20,21)22)25-28(13)4)17-24-15(26-31-17)11-6-5-7-12(8-11)18(30)27(2)3/h5-10H,1-4H3,(H,23,29)
InChIKeyJZDGAXRNGMJHKD-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.68
Rot. Bonds5

About N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 155271761) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID155271761
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC NameN-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C(=O)N(C)C)c2)no1
InChIInChI=1S/C19H19F3N6O3/c1-10(23-16(29)13-9-14(19(20,21)22)25-28(13)4)17-24-15(26-31-17)11-6-5-7-12(8-11)18(30)27(2)3/h5-10H,1-4H3,(H,23,29)
InChIKeyJZDGAXRNGMJHKD-UHFFFAOYSA-N
XLogP2.68
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 155271761) is N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(C(=O)N(C)C)c2)no1.
What is the InChIKey of N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is JZDGAXRNGMJHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O3/c1-10(23-16(29)13-9-14(19(20,21)22)25-28(13)4)17-24-15(26-31-17)11-6-5-7-12(8-11)18(30)27(2)3/h5-10H,1-4H3,(H,23,29).
What are the key properties of N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 155271761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).