4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide

C117H108F15N19O8S3 — CID 159673034

IUPAC4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N(C)C)cc1.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)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(F)(F)F)cc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C2CCCC2)cc1
InChIInChI=1S/C23H18F3N3OS.C22H18N4O3S.C20H15F6N3O.C18H20F3N3O.C18H19N3OS.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;1-28(2)18(30)13-5-3-12(4-6-13)16-11-17(20(24,25)26)27-29(16)15-9-7-14(8-10-15)19(21,22)23;1-23(2)17(25)13-9-7-12(8-10-13)15-11-16(18(19,20)21)22-24(15)14-5-3-4-6-14;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;1-4-9-22-13(10-14(20-22)16(17,18)19)11-5-7-12(8-6-11)15(23)21(2)3/h3-14H,1-2H3;3-14H,1-2H3;3-11H,1-2H3;7-11,14H,3-6H2,1-2H3;5-12H,4H2,1-3H3;5-8,10H,4,9H2,1-3H3
InChIKeyMUFWPWMANQDKIY-UHFFFAOYSA-N
MW2289.45 g/mol
LogP28.21
Rot. Bonds23

About 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide

4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 159673034) has the molecular formula C117H108F15N19O8S3 and a molecular weight of 2289.45 g/mol. Its IUPAC name is 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID159673034
Molecular FormulaC117H108F15N19O8S3
Molecular Weight2289.45 g/mol
Exact Mass2287.76
IUPAC Name4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N(C)C)cc1.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)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(F)(F)F)cc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C2CCCC2)cc1
InChIInChI=1S/C23H18F3N3OS.C22H18N4O3S.C20H15F6N3O.C18H20F3N3O.C18H19N3OS.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;1-28(2)18(30)13-5-3-12(4-6-13)16-11-17(20(24,25)26)27-29(16)15-9-7-14(8-10-15)19(21,22)23;1-23(2)17(25)13-9-7-12(8-10-13)15-11-16(18(19,20)21)22-24(15)14-5-3-4-6-14;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;1-4-9-22-13(10-14(20-22)16(17,18)19)11-5-7-12(8-6-11)15(23)21(2)3/h3-14H,1-2H3;3-14H,1-2H3;3-11H,1-2H3;7-11,14H,3-6H2,1-2H3;5-12H,4H2,1-3H3;5-8,10H,4,9H2,1-3H3
InChIKeyMUFWPWMANQDKIY-UHFFFAOYSA-N
XLogP28.21
TPSA271.92 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002289.45
LogP ≤ 528.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide (CID 159673034) is 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide is CCCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N(C)C)cc1.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)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(F)(F)F)cc2)cc1.CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C2CCCC2)cc1.
What is the InChIKey of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is MUFWPWMANQDKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3OS.C22H18N4O3S.C20H15F6N3O.C18H20F3N3O.C18H19N3OS.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;1-28(2)18(30)13-5-3-12(4-6-13)16-11-17(20(24,25)26)27-29(16)15-9-7-14(8-10-15)19(21,22)23;1-23(2)17(25)13-9-7-12(8-10-13)15-11-16(18(19,20)21)22-24(15)14-5-3-4-6-14;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;1-4-9-22-13(10-14(20-22)16(17,18)19)11-5-7-12(8-6-11)15(23)21(2)3/h3-14H,1-2H3;3-14H,1-2H3;3-11H,1-2H3;7-11,14H,3-6H2,1-2H3;5-12H,4H2,1-3H3;5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide?
4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 2289.45 g/mol, XLogP of 28.21, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-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-4-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]benzamide;5-(1-ethyl-3-phenylpyrazol-5-yl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 159673034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).