N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H15F4N5O2 — CID 162658526

IUPACN-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@@H](c1nc(-c2cccc(F)c2)no1)N(C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C17H15F4N5O2/c1-9(15-22-14(24-28-15)10-5-4-6-11(18)7-10)25(2)16(27)12-8-13(17(19,20)21)23-26(12)3/h4-9H,1-3H3/t9-/m0/s1
InChIKeyZZPPZRHHZMMAJV-VIFPVBQESA-N
MW397.33 g/mol
LogP3.46
Rot. Bonds4

About N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 162658526) has the molecular formula C17H15F4N5O2 and a molecular weight of 397.33 g/mol. Its IUPAC name is N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID162658526
Molecular FormulaC17H15F4N5O2
Molecular Weight397.33 g/mol
Exact Mass397.12
IUPAC NameN-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@@H](c1nc(-c2cccc(F)c2)no1)N(C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C17H15F4N5O2/c1-9(15-22-14(24-28-15)10-5-4-6-11(18)7-10)25(2)16(27)12-8-13(17(19,20)21)23-26(12)3/h4-9H,1-3H3/t9-/m0/s1
InChIKeyZZPPZRHHZMMAJV-VIFPVBQESA-N
XLogP3.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 162658526) is N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@@H](c1nc(-c2cccc(F)c2)no1)N(C)C(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZZPPZRHHZMMAJV-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15F4N5O2/c1-9(15-22-14(24-28-15)10-5-4-6-11(18)7-10)25(2)16(27)12-8-13(17(19,20)21)23-26(12)3/h4-9H,1-3H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 397.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162658526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).