2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
C130H115ClN20O10S7 — CID 159938098
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
SMILESCC(=O)N1CCC(C(=O)n2ccc(/C=C/c3cccs3)n2)CC1.Cn1cccc1C(=O)n1ccc(/C=C/c2ccco2)n1.O=C(C1CCC1)n1ccc(/C=C/c2cccs2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C21H16N4O.C17H13ClN2OS.C17H19N3O2S.C16H18N2OS.C16H12N2OS.C15H13N3O2.C14H10N2OS2.C14H14N2OS/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;1-13(21)19-9-6-14(7-10-19)17(22)20-11-8-15(18-20)4-5-16-3-2-12-23-16;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;17-14(11-6-9-18-10-11)16-7-5-12(15-16)3-4-13-2-1-8-19-13;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h1-16H;1-11H,12H2;2-5,8,11-12,14H,6-7,9-10H2,1H3;3,6-11,13H,1-2,4-5,12H2;1-12H;2-11H,1H3;1-10H;2,5-11H,1,3-4H2/b10-7+;8-7+;5-4+;8-7+;9-8+;7-6+;4-3+;7-6+
InChIKeyOANFFXPFXIXNSW-MODNBHBQSA-N
MW2377.40 g/mol
LogP29.83
Rot. Bonds27
About 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (PubChem CID 159938098) has the molecular formula C130H115ClN20O10S7 and a molecular weight of 2377.40 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.
Molecular Properties
| Compound Name | 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone |
|---|---|
| PubChem CID | 159938098 |
| Molecular Formula | C130H115ClN20O10S7 |
| Molecular Weight | 2377.40 g/mol |
| Exact Mass | 2374.68 |
| IUPAC Name | 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone |
| SMILES | CC(=O)N1CCC(C(=O)n2ccc(/C=C/c3cccs3)n2)CC1.Cn1cccc1C(=O)n1ccc(/C=C/c2ccco2)n1.O=C(C1CCC1)n1ccc(/C=C/c2cccs2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2cccs2)n1 |
| InChI | InChI=1S/C21H16N4O.C17H13ClN2OS.C17H19N3O2S.C16H18N2OS.C16H12N2OS.C15H13N3O2.C14H10N2OS2.C14H14N2OS/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;1-13(21)19-9-6-14(7-10-19)17(22)20-11-8-15(18-20)4-5-16-3-2-12-23-16;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;17-14(11-6-9-18-10-11)16-7-5-12(15-16)3-4-13-2-1-8-19-13;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h1-16H;1-11H,12H2;2-5,8,11-12,14H,6-7,9-10H2,1H3;3,6-11,13H,1-2,4-5,12H2;1-12H;2-11H,1H3;1-10H;2,5-11H,1,3-4H2/b10-7+;8-7+;5-4+;8-7+;9-8+;7-6+;4-3+;7-6+ |
| InChIKey | OANFFXPFXIXNSW-MODNBHBQSA-N |
| XLogP | 29.83 |
| TPSA | 335.32 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 168 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2377.40 |
| LogP ≤ 5 | 29.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (CID 159938098) is 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is CC(=O)N1CCC(C(=O)n2ccc(/C=C/c3cccs3)n2)CC1.Cn1cccc1C(=O)n1ccc(/C=C/c2ccco2)n1.O=C(C1CCC1)n1ccc(/C=C/c2cccs2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2cccs2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The InChIKey is OANFFXPFXIXNSW-MODNBHBQSA-N. The full InChI is InChI=1S/C21H16N4O.C17H13ClN2OS.C17H19N3O2S.C16H18N2OS.C16H12N2OS.C15H13N3O2.C14H10N2OS2.C14H14N2OS/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;1-13(21)19-9-6-14(7-10-19)17(22)20-11-8-15(18-20)4-5-16-3-2-12-23-16;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;17-14(11-6-9-18-10-11)16-7-5-12(15-16)3-4-13-2-1-8-19-13;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h1-16H;1-11H,12H2;2-5,8,11-12,14H,6-7,9-10H2,1H3;3,6-11,13H,1-2,4-5,12H2;1-12H;2-11H,1H3;1-10H;2,5-11H,1,3-4H2/b10-7+;8-7+;5-4+;8-7+;9-8+;7-6+;4-3+;7-6+.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone has a molecular weight of 2377.40 g/mol, XLogP of 29.83, 27 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 159938098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
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