trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

C20H22F3N3O3 — CID 146460843

About trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 146460843) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 146460843
• Molecular Formula: C20H22F3N3O3
• Molecular Weight: 409.41 g/mol
• Exact Mass: 409.16
• IUPAC Name: trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: COc1ccc([C@@H]2C[C@H]2C(=O)NC(C)c2cnc(OCC(F)(F)F)cn2)cc1C
• InChI: InChI=1S/C20H22F3N3O3/c1-11-6-13(4-5-17(11)28-3)14-7-15(14)19(27)26-12(2)16-8-25-18(9-24-16)29-10-20(21,22)23/h4-6,8-9,12,14-15H,7,10H2,1-3H3,(H,26,27)/t12?,14-,15+/m0/s1
• InChIKey: VIDXXIGPPVQGMN-JQXSQYPDSA-N
• XLogP: 3.72
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.41
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 146460843) is trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@H]2C(=O)NC(C)c2cnc(OCC(F)(F)F)cn2)cc1C.

What is the InChIKey of trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is VIDXXIGPPVQGMN-JQXSQYPDSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-11-6-13(4-5-17(11)28-3)14-7-15(14)19(27)26-12(2)16-8-25-18(9-24-16)29-10-20(21,22)23/h4-6,8-9,12,14-15H,7,10H2,1-3H3,(H,26,27)/t12?,14-,15+/m0/s1.

What are the key properties of trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide?

trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146460843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).