N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid

C48H46F6N14O7 — CID 157420737

About N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid

N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 157420737) has the molecular formula C48H46F6N14O7 and a molecular weight of 1044.97 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid
• PubChem CID: 157420737
• Molecular Formula: C48H46F6N14O7
• Molecular Weight: 1044.97 g/mol
• Exact Mass: 1044.36
• IUPAC Name: N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid
• SMILES: CC(C)c1nnc(-c2ccc(C(=O)NCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)cn2)o1.CC(C)c1nnc(-c2ccc(C(=O)O)cn2)o1.NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F
• InChI: InChI=1S/C24H22F3N7O3.C13H13F3N4O.C11H11N3O3/c1-14(2)22-31-32-23(37-22)18-9-8-15(12-30-18)20(35)28-10-11-29-21(36)17-13-34(16-6-4-3-5-7-16)33-19(17)24(25,26)27;14-13(15,16)11-10(12(21)18-7-6-17)8-20(19-11)9-4-2-1-3-5-9;1-6(2)9-13-14-10(17-9)8-4-3-7(5-12-8)11(15)16/h3-9,12-14H,10-11H2,1-2H3,(H,28,35)(H,29,36);1-5,8H,6-7,17H2,(H,18,21);3-6H,1-2H3,(H,15,16)
• InChIKey: BPJHNDJMQLJJSY-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 289.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.97
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

The IUPAC name of N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid (CID 157420737) is N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

The canonical SMILES for N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid is CC(C)c1nnc(-c2ccc(C(=O)NCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)cn2)o1.CC(C)c1nnc(-c2ccc(C(=O)O)cn2)o1.NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F.

What is the InChIKey of N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

The InChIKey is BPJHNDJMQLJJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O3.C13H13F3N4O.C11H11N3O3/c1-14(2)22-31-32-23(37-22)18-9-8-15(12-30-18)20(35)28-10-11-29-21(36)17-13-34(16-6-4-3-5-7-16)33-19(17)24(25,26)27;14-13(15,16)11-10(12(21)18-7-6-17)8-20(19-11)9-4-2-1-3-5-9;1-6(2)9-13-14-10(17-9)8-4-3-7(5-12-8)11(15)16/h3-9,12-14H,10-11H2,1-2H3,(H,28,35)(H,29,36);1-5,8H,6-7,17H2,(H,18,21);3-6H,1-2H3,(H,15,16).

What are the key properties of N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid?

N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 1044.97 g/mol, XLogP of 7.15, 15 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 157420737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).