lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide

C35H39F6LiN10O6 — CID 167644486

About lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide

lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide (PubChem CID 167644486) has the molecular formula C35H39F6LiN10O6 and a molecular weight of 816.69 g/mol. Its IUPAC name is lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide.

Molecular Properties

• Compound Name: lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide
• PubChem CID: 167644486
• Molecular Formula: C35H39F6LiN10O6
• Molecular Weight: 816.69 g/mol
• Exact Mass: 816.31
• IUPAC Name: lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide
• SMILES: C.C.CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(O)c2)no1.Cc1cccc(-c2noc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)c1.[Li+].[OH-]
• InChI: InChI=1S/C17H16F3N5O2.C16H14F3N5O3.2CH4.Li.H2O/c1-9-5-4-6-11(7-9)14-22-16(27-24-14)10(2)21-15(26)12-8-13(17(18,19)20)23-25(12)3;1-8(15-21-13(23-27-15)9-4-3-5-10(25)6-9)20-14(26)11-7-12(16(17,18)19)22-24(11)2;;;;/h4-8,10H,1-3H3,(H,21,26);3-8,25H,1-2H3,(H,20,26);2*1H4;;1H2/q;;;;+1;/p-1
• InChIKey: PQPRTZQKLJYBNL-UHFFFAOYSA-M
• XLogP: 4.07
• TPSA: 221.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.69
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide?

The IUPAC name of lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide (CID 167644486) is lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide.

What is the SMILES notation for lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide?

The canonical SMILES for lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide is C.C.CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(O)c2)no1.Cc1cccc(-c2noc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)c1.[Li+].[OH-].

What is the InChIKey of lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide?

The InChIKey is PQPRTZQKLJYBNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16F3N5O2.C16H14F3N5O3.2CH4.Li.H2O/c1-9-5-4-6-11(7-9)14-22-16(27-24-14)10(2)21-15(26)12-8-13(17(18,19)20)23-25(12)3;1-8(15-21-13(23-27-15)9-4-3-5-10(25)6-9)20-14(26)11-7-12(16(17,18)19)22-24(11)2;;;;/h4-8,10H,1-3H3,(H,21,26);3-8,25H,1-2H3,(H,20,26);2*1H4;;1H2/q;;;;+1;/p-1.

What are the key properties of lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide?

lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide has a molecular weight of 816.69 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-[1-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxide is sourced from PubChem (CID 167644486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).