(6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

C120H98ClN19O14S10 — CID 158959885

About (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

(6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (PubChem CID 158959885) has the molecular formula C120H98ClN19O14S10 and a molecular weight of 2386.35 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

• Compound Name: (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
• PubChem CID: 158959885
• Molecular Formula: C120H98ClN19O14S10
• Molecular Weight: 2386.35 g/mol
• Exact Mass: 2383.44
• IUPAC Name: (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;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.COc1ccc(CC(=O)n2ccc(/C=C/c3ccco3)n2)cc1.O=C(C1CCC1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccc(Cl)nc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccco1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2cccs2)n1
• InChI: InChI=1S/C18H16N2O3.C17H19N3O2S.C15H10ClN3OS.C14H9N3O3S2.C14H10N2O2S.2C14H10N2OS2.C14H14N2OS/c1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;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;16-14-6-3-11(10-17-14)15(20)19-8-7-12(18-19)4-5-13-2-1-9-21-13;18-14(10-8-13(17(19)20)22-9-10)16-6-5-11(15-16)3-4-12-2-1-7-21-12;17-14(13-4-1-9-18-13)16-8-7-11(15-16)5-6-12-3-2-10-19-12;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12;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/h2-12H,13H2,1H3;2-5,8,11-12,14H,6-7,9-10H2,1H3;1-10H;1-9H;3*1-10H;2,5-11H,1,3-4H2/b9-6+;2*5-4+;4-3+;2*6-5+;4-3+;7-6+
• InChIKey: JMMGIHSQRAZDLH-MHDFSYFOSA-N
• XLogP: 28.86
• TPSA: 390.97 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2386.35
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The IUPAC name of (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (CID 158959885) is (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

What is the SMILES notation for (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The canonical SMILES for (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;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.COc1ccc(CC(=O)n2ccc(/C=C/c3ccco3)n2)cc1.O=C(C1CCC1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccc(Cl)nc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccco1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2cccs2)n1.

What is the InChIKey of (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The InChIKey is JMMGIHSQRAZDLH-MHDFSYFOSA-N. The full InChI is InChI=1S/C18H16N2O3.C17H19N3O2S.C15H10ClN3OS.C14H9N3O3S2.C14H10N2O2S.2C14H10N2OS2.C14H14N2OS/c1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;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;16-14-6-3-11(10-17-14)15(20)19-8-7-12(18-19)4-5-13-2-1-9-21-13;18-14(10-8-13(17(19)20)22-9-10)16-6-5-11(15-16)3-4-12-2-1-7-21-12;17-14(13-4-1-9-18-13)16-8-7-11(15-16)5-6-12-3-2-10-19-12;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12;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/h2-12H,13H2,1H3;2-5,8,11-12,14H,6-7,9-10H2,1H3;1-10H;1-9H;3*1-10H;2,5-11H,1,3-4H2/b9-6+;2*5-4+;4-3+;2*6-5+;4-3+;7-6+.

What are the key properties of (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

(6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone has a molecular weight of 2386.35 g/mol, XLogP of 28.86, 27 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-3-pyridinyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;1-[4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]piperidin-1-yl]ethanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;thiophen-3-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 158959885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).