3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide

C130H132F24N24O8S — CID 157084171

IUPAC3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide
SMILESCC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(C(F)(F)F)cc1-c1cccc(C(=O)N(C)C)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2C2CCCC2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)c1.Cc1cc(-c2ccc(C(=O)N(C)C)s2)n(C)n1
InChIInChI=1S/C20H18F3N3O.C19H16F3N3O.C18H20F3N3O.C16H18F3N3O.C15H13F6N3O.2C15H16F3N3O.C12H15N3OS/c1-25(2)19(27)16-10-6-9-15(11-16)17-12-18(20(21,22)23)24-26(17)13-14-7-4-3-5-8-14;1-24(2)18(26)14-8-6-7-13(11-14)16-12-17(19(20,21)22)23-25(16)15-9-4-3-5-10-15;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;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4;1-23(2)13(25)10-5-3-4-9(6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18;1-4-21-12(9-13(19-21)15(16,17)18)10-6-5-7-11(8-10)14(22)20(2)3;1-4-21-13(15(16,17)18)9-12(19-21)10-6-5-7-11(8-10)14(22)20(2)3;1-8-7-9(15(4)13-8)10-5-6-11(17-10)12(16)14(2)3/h3-12H,13H2,1-2H3;3-12H,1-2H3;5-7,10-11,14H,3-4,8-9H2,1-2H3;5-10H,1-4H3;3-7H,8H2,1-2H3;2*5-9H,4H2,1-3H3;5-7H,1-4H3
InChIKeyADWZFXYYWRUSQW-UHFFFAOYSA-N
MW2646.66 g/mol
LogP29.39
Rot. Bonds24

About 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide

3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide (PubChem CID 157084171) has the molecular formula C130H132F24N24O8S and a molecular weight of 2646.66 g/mol. Its IUPAC name is 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide
PubChem CID157084171
Molecular FormulaC130H132F24N24O8S
Molecular Weight2646.66 g/mol
Exact Mass2645.00
IUPAC Name3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide
SMILESCC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(C(F)(F)F)cc1-c1cccc(C(=O)N(C)C)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2C2CCCC2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)c1.Cc1cc(-c2ccc(C(=O)N(C)C)s2)n(C)n1
InChIInChI=1S/C20H18F3N3O.C19H16F3N3O.C18H20F3N3O.C16H18F3N3O.C15H13F6N3O.2C15H16F3N3O.C12H15N3OS/c1-25(2)19(27)16-10-6-9-15(11-16)17-12-18(20(21,22)23)24-26(17)13-14-7-4-3-5-8-14;1-24(2)18(26)14-8-6-7-13(11-14)16-12-17(19(20,21)22)23-25(16)15-9-4-3-5-10-15;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;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4;1-23(2)13(25)10-5-3-4-9(6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18;1-4-21-12(9-13(19-21)15(16,17)18)10-6-5-7-11(8-10)14(22)20(2)3;1-4-21-13(15(16,17)18)9-12(19-21)10-6-5-7-11(8-10)14(22)20(2)3;1-8-7-9(15(4)13-8)10-5-6-11(17-10)12(16)14(2)3/h3-12H,13H2,1-2H3;3-12H,1-2H3;5-7,10-11,14H,3-4,8-9H2,1-2H3;5-10H,1-4H3;3-7H,8H2,1-2H3;2*5-9H,4H2,1-3H3;5-7H,1-4H3
InChIKeyADWZFXYYWRUSQW-UHFFFAOYSA-N
XLogP29.39
TPSA305.04 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002646.66
LogP ≤ 529.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide (CID 157084171) is 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide is CC(C)n1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(-c2cccc(C(=O)N(C)C)c2)cc1C(F)(F)F.CCn1nc(C(F)(F)F)cc1-c1cccc(C(=O)N(C)C)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2C2CCCC2)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CC(F)(F)F)c1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)c1.Cc1cc(-c2ccc(C(=O)N(C)C)s2)n(C)n1.
What is the InChIKey of 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide?
The InChIKey is ADWZFXYYWRUSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O.C19H16F3N3O.C18H20F3N3O.C16H18F3N3O.C15H13F6N3O.2C15H16F3N3O.C12H15N3OS/c1-25(2)19(27)16-10-6-9-15(11-16)17-12-18(20(21,22)23)24-26(17)13-14-7-4-3-5-8-14;1-24(2)18(26)14-8-6-7-13(11-14)16-12-17(19(20,21)22)23-25(16)15-9-4-3-5-10-15;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;1-10(2)22-14(16(17,18)19)9-13(20-22)11-6-5-7-12(8-11)15(23)21(3)4;1-23(2)13(25)10-5-3-4-9(6-10)11-7-12(15(19,20)21)22-24(11)8-14(16,17)18;1-4-21-12(9-13(19-21)15(16,17)18)10-6-5-7-11(8-10)14(22)20(2)3;1-4-21-13(15(16,17)18)9-12(19-21)10-6-5-7-11(8-10)14(22)20(2)3;1-8-7-9(15(4)13-8)10-5-6-11(17-10)12(16)14(2)3/h3-12H,13H2,1-2H3;3-12H,1-2H3;5-7,10-11,14H,3-4,8-9H2,1-2H3;5-10H,1-4H3;3-7H,8H2,1-2H3;2*5-9H,4H2,1-3H3;5-7H,1-4H3.
What are the key properties of 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide?
3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide has a molecular weight of 2646.66 g/mol, XLogP of 29.39, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-3-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-3-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;5-(2,5-dimethylpyrazol-3-yl)-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-3-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;3-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 157084171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).