(2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide

C25H25ClF3N5O — CID 25254680

About (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide

(2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide (PubChem CID 25254680) has the molecular formula C25H25ClF3N5O and a molecular weight of 503.96 g/mol. Its IUPAC name is (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide
• PubChem CID: 25254680
• Molecular Formula: C25H25ClF3N5O
• Molecular Weight: 503.96 g/mol
• Exact Mass: 503.17
• IUPAC Name: (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide
• SMILES: O=C(NC1CCCc2cc(C(F)(F)F)ccc21)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C25H25ClF3N5O/c26-19-9-6-16(7-10-19)14-34-23(30-15-31-34)22-5-2-12-33(22)24(35)32-21-4-1-3-17-13-18(25(27,28)29)8-11-20(17)21/h6-11,13,15,21-22H,1-5,12,14H2,(H,32,35)/t21?,22-/m1/s1
• InChIKey: QTDSTAQUTWDXIP-FOIFJWKZSA-N
• XLogP: 5.92
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.96
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?

The IUPAC name of (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide (CID 25254680) is (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide.

What is the SMILES notation for (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?

The canonical SMILES for (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide is O=C(NC1CCCc2cc(C(F)(F)F)ccc21)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1.

What is the InChIKey of (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?

The InChIKey is QTDSTAQUTWDXIP-FOIFJWKZSA-N. The full InChI is InChI=1S/C25H25ClF3N5O/c26-19-9-6-16(7-10-19)14-34-23(30-15-31-34)22-5-2-12-33(22)24(35)32-21-4-1-3-17-13-18(25(27,28)29)8-11-20(17)21/h6-11,13,15,21-22H,1-5,12,14H2,(H,32,35)/t21?,22-/m1/s1.

What are the key properties of (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide?

(2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide has a molecular weight of 503.96 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-N-[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 25254680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).