(5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

C77H61Cl2N11O8S7 — CID 159574461

IUPAC(5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
SMILESCOc1c(C(=O)n2ccc(/C=C/c3cccs3)n2)csc1Cl.O=C(C1CCCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C16H11ClN2OS.C16H18N2OS.C16H12N2OS.C15H11ClN2O2S2.C14H9N3O3S2/c17-13-4-1-3-12(11-13)16(20)19-9-8-14(18-19)6-7-15-5-2-10-21-15;2*19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-20-13-12(9-22-14(13)16)15(19)18-7-6-10(17-18)4-5-11-3-2-8-21-11;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/h1-11H;4,7-13H,1-3,5-6H2;1-12H;2-9H,1H3;1-9H/b7-6+;2*9-8+;5-4+;4-3+
InChIKeyMIFMOMWHJPGYAF-XHMBBSPUSA-N
MW1563.78 g/mol
LogP20.90
Rot. Bonds17

About (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

(5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (PubChem CID 159574461) has the molecular formula C77H61Cl2N11O8S7 and a molecular weight of 1563.78 g/mol. Its IUPAC name is (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
PubChem CID159574461
Molecular FormulaC77H61Cl2N11O8S7
Molecular Weight1563.78 g/mol
Exact Mass1561.21
IUPAC Name(5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
SMILESCOc1c(C(=O)n2ccc(/C=C/c3cccs3)n2)csc1Cl.O=C(C1CCCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C16H11ClN2OS.C16H18N2OS.C16H12N2OS.C15H11ClN2O2S2.C14H9N3O3S2/c17-13-4-1-3-12(11-13)16(20)19-9-8-14(18-19)6-7-15-5-2-10-21-15;2*19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-20-13-12(9-22-14(13)16)15(19)18-7-6-10(17-18)4-5-11-3-2-8-21-11;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/h1-11H;4,7-13H,1-3,5-6H2;1-12H;2-9H,1H3;1-9H/b7-6+;2*9-8+;5-4+;4-3+
InChIKeyMIFMOMWHJPGYAF-XHMBBSPUSA-N
XLogP20.90
TPSA226.82 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.78
LogP ≤ 520.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The IUPAC name of (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (CID 159574461) is (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is COc1c(C(=O)n2ccc(/C=C/c3cccs3)n2)csc1Cl.O=C(C1CCCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2cccs2)n1.
What is the InChIKey of (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The InChIKey is MIFMOMWHJPGYAF-XHMBBSPUSA-N. The full InChI is InChI=1S/C16H11ClN2OS.C16H18N2OS.C16H12N2OS.C15H11ClN2O2S2.C14H9N3O3S2/c17-13-4-1-3-12(11-13)16(20)19-9-8-14(18-19)6-7-15-5-2-10-21-15;2*19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-20-13-12(9-22-14(13)16)15(19)18-7-6-10(17-18)4-5-11-3-2-8-21-11;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/h1-11H;4,7-13H,1-3,5-6H2;1-12H;2-9H,1H3;1-9H/b7-6+;2*9-8+;5-4+;4-3+.
What are the key properties of (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
(5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone has a molecular weight of 1563.78 g/mol, XLogP of 20.90, 17 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxythiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 159574461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).