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

C18H15ClF3N5O2 — CID 167186131

IUPACN-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@@H](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)/t9-/m1/s1
InChIKeyWXKGTKQAINSRMX-SECBINFHSA-N
MW425.80 g/mol
LogP4.43
Rot. Bonds5

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

N-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167186131) has the molecular formula C18H15ClF3N5O2 and a molecular weight of 425.80 g/mol. Its IUPAC name is N-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167186131
Molecular FormulaC18H15ClF3N5O2
Molecular Weight425.80 g/mol
Exact Mass425.09
IUPAC NameN-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@@H](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)/t9-/m1/s1
InChIKeyWXKGTKQAINSRMX-SECBINFHSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167186131) is N-[(1R)-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-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C1CC1)c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is WXKGTKQAINSRMX-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(1R)-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-[(1R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167186131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).