1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane

C54H46Cl4F6N6O6 — CID 158278630

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane (PubChem CID 158278630) has the molecular formula C54H46Cl4F6N6O6 and a molecular weight of 1130.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane
• PubChem CID: 158278630
• Molecular Formula: C54H46Cl4F6N6O6
• Molecular Weight: 1130.80 g/mol
• Exact Mass: 1128.21
• IUPAC Name: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane
• SMILES: C.C.C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1O)c1ccc(C(F)(F)F)cc1.C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OCC(=O)O)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C27H20Cl2F3N3O4.C25H18Cl2F3N3O2.2CH4/c1-15(16-6-10-18(11-7-16)27(30,31)32)33-26(38)23-25(39-14-22(36)37)24(17-8-12-19(28)13-9-17)35(34-23)21-5-3-2-4-20(21)29;1-14(15-6-10-17(11-7-15)25(28,29)30)31-24(35)21-23(34)22(16-8-12-18(26)13-9-16)33(32-21)20-5-3-2-4-19(20)27;;/h2-13,15H,14H2,1H3,(H,33,38)(H,36,37);2-14,34H,1H3,(H,31,35);2*1H4/t15-;14-;;/m11../s1
• InChIKey: GJXUUGKQWMFRHW-KXPOKTIHSA-N
• XLogP: 15.15
• TPSA: 160.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1130.80
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane?

The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane (CID 158278630) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane.

What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane?

The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane is C.C.C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1O)c1ccc(C(F)(F)F)cc1.C[C@@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1OCC(=O)O)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane?

The InChIKey is GJXUUGKQWMFRHW-KXPOKTIHSA-N. The full InChI is InChI=1S/C27H20Cl2F3N3O4.C25H18Cl2F3N3O2.2CH4/c1-15(16-6-10-18(11-7-16)27(30,31)32)33-26(38)23-25(39-14-22(36)37)24(17-8-12-19(28)13-9-17)35(34-23)21-5-3-2-4-20(21)29;1-14(15-6-10-17(11-7-15)25(28,29)30)31-24(35)21-23(34)22(16-8-12-18(26)13-9-16)33(32-21)20-5-3-2-4-19(20)27;;/h2-13,15H,14H2,1H3,(H,33,38)(H,36,37);2-14,34H,1H3,(H,31,35);2*1H4/t15-;14-;;/m11../s1.

What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane?

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane has a molecular weight of 1130.80 g/mol, XLogP of 15.15, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-hydroxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide;2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetic acid;methane is sourced from PubChem (CID 158278630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).