N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C18H15ClF3N5O2 — CID 167186130

IUPACN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C1CC1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H15ClF3N5O2/c1-9(17-24-15(26-29-17)10-3-2-4-11(19)7-10)23-16(28)13-8-14(18(20,21)22)25-27(13)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,23,28)
InChIKeyWXKGTKQAINSRMX-UHFFFAOYSA-N
MW425.80 g/mol
LogP4.43
Rot. Bonds5

About N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167186130) has the molecular formula C18H15ClF3N5O2 and a molecular weight of 425.80 g/mol. Its IUPAC name is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167186130
Molecular FormulaC18H15ClF3N5O2
Molecular Weight425.80 g/mol
Exact Mass425.09
IUPAC NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C1CC1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H15ClF3N5O2/c1-9(17-24-15(26-29-17)10-3-2-4-11(19)7-10)23-16(28)13-8-14(18(20,21)22)25-27(13)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,23,28)
InChIKeyWXKGTKQAINSRMX-UHFFFAOYSA-N
XLogP4.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167186130) is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C1CC1)c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is WXKGTKQAINSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5O2/c1-9(17-24-15(26-29-17)10-3-2-4-11(19)7-10)23-16(28)13-8-14(18(20,21)22)25-27(13)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,23,28).
What are the key properties of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 425.80 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167186130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).