3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide

C115H113F9N19O8S4+ — CID 157301052

About 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide

3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 157301052) has the molecular formula C115H113F9N19O8S4+ and a molecular weight of 2188.54 g/mol. Its IUPAC name is 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide
• PubChem CID: 157301052
• Molecular Formula: C115H113F9N19O8S4+
• Molecular Weight: 2188.54 g/mol
• Exact Mass: 2186.78
• IUPAC Name: 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide
• SMILES: CC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(-c2ccc(C(=O)N(C)C)s2)cc1-c1ccccc1.CCn1nc(-c2ccccc2)cc1-c1ccc(C(=O)N(C)C)s1.CN(C)C(=O)c1ccc(-c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)s1.CN(C)C(=O)c1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2C(F)(F)F)s1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)[nH][n+]2C2CCCC2)c1
• InChI: InChI=1S/C23H18F3N3OS.C22H18N4O3S.C18H20F3N3O.2C18H19N3OS.C16H18F3N3O/c1-28(2)22(30)21-13-12-20(31-21)19-14-17(15-8-4-3-5-9-15)27-29(19)18-11-7-6-10-16(18)23(24,25)26;1-24(2)22(27)21-13-12-20(30-21)19-14-18(15-6-4-3-5-7-15)23-25(19)16-8-10-17(11-9-16)26(28)29;1-23(2)17(25)13-7-5-6-12(10-13)15-11-16(18(19,20)21)22-24(15)14-8-3-4-9-14;1-4-21-15(13-8-6-5-7-9-13)12-14(19-21)16-10-11-17(23-16)18(22)20(2)3;1-4-21-15(12-14(19-21)13-8-6-5-7-9-13)16-10-11-17(23-16)18(22)20(2)3;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4/h3-14H,1-2H3;3-14H,1-2H3;5-7,10-11,14H,3-4,8-9H2,1-2H3;2*5-12H,4H2,1-3H3;5-10H,1-4H3/p+1
• InChIKey: GUDTZXPUYIGSRB-UHFFFAOYSA-O
• XLogP: 26.52
• TPSA: 273.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2188.54
LogP ≤ 5	26.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide?

The IUPAC name of 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide (CID 157301052) is 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide.

What is the SMILES notation for 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide?

The canonical SMILES for 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide is CC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(-c2ccc(C(=O)N(C)C)s2)cc1-c1ccccc1.CCn1nc(-c2ccccc2)cc1-c1ccc(C(=O)N(C)C)s1.CN(C)C(=O)c1ccc(-c2cc(-c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)s1.CN(C)C(=O)c1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2C(F)(F)F)s1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)[nH][n+]2C2CCCC2)c1.

What is the InChIKey of 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide?

The InChIKey is GUDTZXPUYIGSRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H18F3N3OS.C22H18N4O3S.C18H20F3N3O.2C18H19N3OS.C16H18F3N3O/c1-28(2)22(30)21-13-12-20(31-21)19-14-17(15-8-4-3-5-9-15)27-29(19)18-11-7-6-10-16(18)23(24,25)26;1-24(2)22(27)21-13-12-20(30-21)19-14-18(15-6-4-3-5-7-15)23-25(19)16-8-10-17(11-9-16)26(28)29;1-23(2)17(25)13-7-5-6-12(10-13)15-11-16(18(19,20)21)22-24(15)14-8-3-4-9-14;1-4-21-15(13-8-6-5-7-9-13)12-14(19-21)16-10-11-17(23-16)18(22)20(2)3;1-4-21-15(12-14(19-21)13-8-6-5-7-9-13)16-10-11-17(23-16)18(22)20(2)3;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4/h3-14H,1-2H3;3-14H,1-2H3;5-7,10-11,14H,3-4,8-9H2,1-2H3;2*5-12H,4H2,1-3H3;5-10H,1-4H3/p+1.

What are the key properties of 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide?

3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 2188.54 g/mol, XLogP of 26.52, 23 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazol-2-ium-3-yl]-N,N-dimethylbenzamide;N,N-dimethyl-5-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide;5-(1-ethyl-5-phenylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 157301052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).