N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide

C84H85F15N18O8S5 — CID 159682744

IUPACN-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)C1CCCCC1.Cc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)o1.Cn1nc(-c2ccc(C(=O)NCCN3CCOCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCOc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cnc[nH]3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H22F3N3OS.C18H16F3N3O2S.C16H19F3N4O2S.C16H14F3N3O2S.C15H14F3N5OS/c1-3-11-25(13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-12-17(19(20,21)22)24(2)23-14;1-24-16(18(19,20)21)11-13(23-24)14-7-8-15(27-14)17(25)22-9-10-26-12-5-3-2-4-6-12;1-22-14(16(17,18)19)10-11(21-22)12-2-3-13(26-12)15(24)20-4-5-23-6-8-25-9-7-23;1-9-3-4-10(24-9)8-20-15(23)13-6-5-12(25-13)11-7-14(16(17,18)19)22(2)21-11;1-23-13(15(16,17)18)6-10(22-23)11-2-3-12(25-11)14(24)20-5-4-9-7-19-8-21-9/h3,9-10,12-13H,1,4-8,11H2,2H3;2-8,11H,9-10H2,1H3,(H,22,25);2-3,10H,4-9H2,1H3,(H,20,24);3-7H,8H2,1-2H3,(H,20,23);2-3,6-8H,4-5H2,1H3,(H,19,21)(H,20,24)
InChIKeyMVKFSLDGPOZYIP-UHFFFAOYSA-N
MW1920.03 g/mol
LogP18.20
Rot. Bonds25

About N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide

N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide (PubChem CID 159682744) has the molecular formula C84H85F15N18O8S5 and a molecular weight of 1920.03 g/mol. Its IUPAC name is N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide
PubChem CID159682744
Molecular FormulaC84H85F15N18O8S5
Molecular Weight1920.03 g/mol
Exact Mass1918.52
IUPAC NameN-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)C1CCCCC1.Cc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)o1.Cn1nc(-c2ccc(C(=O)NCCN3CCOCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCOc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cnc[nH]3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H22F3N3OS.C18H16F3N3O2S.C16H19F3N4O2S.C16H14F3N3O2S.C15H14F3N5OS/c1-3-11-25(13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-12-17(19(20,21)22)24(2)23-14;1-24-16(18(19,20)21)11-13(23-24)14-7-8-15(27-14)17(25)22-9-10-26-12-5-3-2-4-6-12;1-22-14(16(17,18)19)10-11(21-22)12-2-3-13(26-12)15(24)20-4-5-23-6-8-25-9-7-23;1-9-3-4-10(24-9)8-20-15(23)13-6-5-12(25-13)11-7-14(16(17,18)19)22(2)21-11;1-23-13(15(16,17)18)6-10(22-23)11-2-3-12(25-11)14(24)20-5-4-9-7-19-8-21-9/h3,9-10,12-13H,1,4-8,11H2,2H3;2-8,11H,9-10H2,1H3,(H,22,25);2-3,10H,4-9H2,1H3,(H,20,24);3-7H,8H2,1-2H3,(H,20,23);2-3,6-8H,4-5H2,1H3,(H,19,21)(H,20,24)
InChIKeyMVKFSLDGPOZYIP-UHFFFAOYSA-N
XLogP18.20
TPSA289.33 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.03
LogP ≤ 518.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide (CID 159682744) is N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide is C=CCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)C1CCCCC1.Cc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)o1.Cn1nc(-c2ccc(C(=O)NCCN3CCOCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCOc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cnc[nH]3)s2)cc1C(F)(F)F.
What is the InChIKey of N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide?
The InChIKey is MVKFSLDGPOZYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS.C18H16F3N3O2S.C16H19F3N4O2S.C16H14F3N3O2S.C15H14F3N5OS/c1-3-11-25(13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-12-17(19(20,21)22)24(2)23-14;1-24-16(18(19,20)21)11-13(23-24)14-7-8-15(27-14)17(25)22-9-10-26-12-5-3-2-4-6-12;1-22-14(16(17,18)19)10-11(21-22)12-2-3-13(26-12)15(24)20-4-5-23-6-8-25-9-7-23;1-9-3-4-10(24-9)8-20-15(23)13-6-5-12(25-13)11-7-14(16(17,18)19)22(2)21-11;1-23-13(15(16,17)18)6-10(22-23)11-2-3-12(25-11)14(24)20-5-4-9-7-19-8-21-9/h3,9-10,12-13H,1,4-8,11H2,2H3;2-8,11H,9-10H2,1H3,(H,22,25);2-3,10H,4-9H2,1H3,(H,20,24);3-7H,8H2,1-2H3,(H,20,23);2-3,6-8H,4-5H2,1H3,(H,19,21)(H,20,24).
What are the key properties of N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide?
N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide has a molecular weight of 1920.03 g/mol, XLogP of 18.20, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 159682744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).