N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C83H89F16N17O5S5 — CID 159779779

IUPACN-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCCCCCCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCN3CCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3ccccc3F)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccncc3)s2)cc1C(F)(F)F
InChIInChI=1S/C18H15F4N3OS.C17H22F3N3OS.C16H13F3N4OS.C16H19F3N4OS.C16H20F3N3OS/c1-25-16(18(20,21)22)10-13(24-25)14-6-7-15(27-14)17(26)23-9-8-11-4-2-3-5-12(11)19;1-4-5-6-7-10-22(2)16(24)14-9-8-13(25-14)12-11-15(17(18,19)20)23(3)21-12;1-23-14(16(17,18)19)8-11(22-23)12-2-3-13(25-12)15(24)21-9-10-4-6-20-7-5-10;1-22-14(16(17,18)19)10-11(21-22)12-4-5-13(25-12)15(24)20-6-9-23-7-2-3-8-23;1-3-4-5-6-9-20-15(23)13-8-7-12(24-13)11-10-14(16(17,18)19)22(2)21-11/h2-7,10H,8-9H2,1H3,(H,23,26);8-9,11H,4-7,10H2,1-3H3;2-8H,9H2,1H3,(H,21,24);4-5,10H,2-3,6-9H2,1H3,(H,20,24);7-8,10H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyNHEZVUZTXSPYKX-UHFFFAOYSA-N
MW1869.04 g/mol
LogP20.06
Rot. Bonds28

About N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 159779779) has the molecular formula C83H89F16N17O5S5 and a molecular weight of 1869.04 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID159779779
Molecular FormulaC83H89F16N17O5S5
Molecular Weight1869.04 g/mol
Exact Mass1867.56
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCCCCCCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCN3CCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3ccccc3F)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccncc3)s2)cc1C(F)(F)F
InChIInChI=1S/C18H15F4N3OS.C17H22F3N3OS.C16H13F3N4OS.C16H19F3N4OS.C16H20F3N3OS/c1-25-16(18(20,21)22)10-13(24-25)14-6-7-15(27-14)17(26)23-9-8-11-4-2-3-5-12(11)19;1-4-5-6-7-10-22(2)16(24)14-9-8-13(25-14)12-11-15(17(18,19)20)23(3)21-12;1-23-14(16(17,18)19)8-11(22-23)12-2-3-13(25-12)15(24)21-9-10-4-6-20-7-5-10;1-22-14(16(17,18)19)10-11(21-22)12-4-5-13(25-12)15(24)20-6-9-23-7-2-3-8-23;1-3-4-5-6-9-20-15(23)13-8-7-12(24-13)11-10-14(16(17,18)19)22(2)21-11/h2-7,10H,8-9H2,1H3,(H,23,26);8-9,11H,4-7,10H2,1-3H3;2-8H,9H2,1H3,(H,21,24);4-5,10H,2-3,6-9H2,1H3,(H,20,24);7-8,10H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyNHEZVUZTXSPYKX-UHFFFAOYSA-N
XLogP20.06
TPSA241.94 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.04
LogP ≤ 520.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride
CID 155553782
N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062356
5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
CID 68062358
N-(3,5-difluoro-4-pyridinyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062363
N-(3-fluoro-4-pyridinyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062365
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide
CID 122180984
3-(4-fluorophenyl)-1-methyl-N-{[5-(thiophen-2-yl)pyridin-3-yl]methyl}-1H-pyrazole-5-carboxamide
CID 91630614
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 23627578
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 23627971
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 23628100
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-ethyl-4-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)thiophene-2-carboxamide
CID 44815456
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]thiophene-2-carboxamide
CID 44815458

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 159779779) is N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is CCCCCCN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CCCCCCNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCN3CCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3ccccc3F)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCc3ccncc3)s2)cc1C(F)(F)F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is NHEZVUZTXSPYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3OS.C17H22F3N3OS.C16H13F3N4OS.C16H19F3N4OS.C16H20F3N3OS/c1-25-16(18(20,21)22)10-13(24-25)14-6-7-15(27-14)17(26)23-9-8-11-4-2-3-5-12(11)19;1-4-5-6-7-10-22(2)16(24)14-9-8-13(25-14)12-11-15(17(18,19)20)23(3)21-12;1-23-14(16(17,18)19)8-11(22-23)12-2-3-13(25-12)15(24)21-9-10-4-6-20-7-5-10;1-22-14(16(17,18)19)10-11(21-22)12-4-5-13(25-12)15(24)20-6-9-23-7-2-3-8-23;1-3-4-5-6-9-20-15(23)13-8-7-12(24-13)11-10-14(16(17,18)19)22(2)21-11/h2-7,10H,8-9H2,1H3,(H,23,26);8-9,11H,4-7,10H2,1-3H3;2-8H,9H2,1H3,(H,21,24);4-5,10H,2-3,6-9H2,1H3,(H,20,24);7-8,10H,3-6,9H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 1869.04 g/mol, XLogP of 20.06, 28 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-hexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 159779779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).