5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C18H20F3N3O2 — CID 35257790

About 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 35257790) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• PubChem CID: 35257790
• Molecular Formula: C18H20F3N3O2
• Molecular Weight: 367.37 g/mol
• Exact Mass: 367.15
• IUPAC Name: 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)N[C@H](C)[C@@H]2CCCO2)cnn1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C18H20F3N3O2/c1-11(16-7-4-8-26-16)23-17(25)15-10-22-24(12(15)2)14-6-3-5-13(9-14)18(19,20)21/h3,5-6,9-11,16H,4,7-8H2,1-2H3,(H,23,25)/t11-,16+/m1/s1
• InChIKey: WQDXMRUKIYWWDK-BZNIZROVSA-N
• XLogP: 3.50
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.37
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 35257790) is 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)N[C@H](C)[C@@H]2CCCO2)cnn1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

The InChIKey is WQDXMRUKIYWWDK-BZNIZROVSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-11(16-7-4-8-26-16)23-17(25)15-10-22-24(12(15)2)14-6-3-5-13(9-14)18(19,20)21/h3,5-6,9-11,16H,4,7-8H2,1-2H3,(H,23,25)/t11-,16+/m1/s1.

What are the key properties of 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?

5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 35257790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).