(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

C130H110Cl4N18O10S2 — CID 158234063

IUPAC(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
SMILESCNC(=O)n1nccc1/C=C/c1c(Cl)cccc1Cl.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(C1CC1)n1ccc(/C=C/c2ccccc2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C19H16N2O2.C18H13ClN2O.C18H14N2O.C16H11ClN2OS.C16H18N2O2.C15H13N3OS.C15H14N2O.C13H11Cl2N3O/c1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;17-15-6-2-1-5-14(15)16(20)19-10-9-12(18-19)7-8-13-4-3-11-21-13;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;18-15(13-7-8-13)17-11-10-14(16-17)9-6-12-4-2-1-3-5-12;1-16-13(19)18-9(7-8-17-18)5-6-10-11(14)3-2-4-12(10)15/h2-14H,1H3;1-13H;1-14H;1-11H;3,6-11,13H,1-2,4-5,12H2;2-11H,1H3;1-6,9-11,13H,7-8H2;2-8H,1H3,(H,16,19)/b10-7+;11-10+;12-11+;2*8-7+;7-6+;9-6+;6-5+
InChIKeyGESYFNKWZCPSSH-GGCOOJTQSA-N
MW2290.37 g/mol
LogP30.01
Rot. Bonds25

About (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (PubChem CID 158234063) has the molecular formula C130H110Cl4N18O10S2 and a molecular weight of 2290.37 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
PubChem CID158234063
Molecular FormulaC130H110Cl4N18O10S2
Molecular Weight2290.37 g/mol
Exact Mass2286.68
IUPAC Name(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
SMILESCNC(=O)n1nccc1/C=C/c1c(Cl)cccc1Cl.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(C1CC1)n1ccc(/C=C/c2ccccc2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C19H16N2O2.C18H13ClN2O.C18H14N2O.C16H11ClN2OS.C16H18N2O2.C15H13N3OS.C15H14N2O.C13H11Cl2N3O/c1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;17-15-6-2-1-5-14(15)16(20)19-10-9-12(18-19)7-8-13-4-3-11-21-13;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;18-15(13-7-8-13)17-11-10-14(16-17)9-6-12-4-2-1-3-5-12;1-16-13(19)18-9(7-8-17-18)5-6-10-11(14)3-2-4-12(10)15/h2-14H,1H3;1-13H;1-14H;1-11H;3,6-11,13H,1-2,4-5,12H2;2-11H,1H3;1-6,9-11,13H,7-8H2;2-8H,1H3,(H,16,19)/b10-7+;11-10+;12-11+;2*8-7+;7-6+;9-6+;6-5+
InChIKeyGESYFNKWZCPSSH-GGCOOJTQSA-N
XLogP30.01
TPSA318.45 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.37
LogP ≤ 530.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (CID 158234063) is (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is CNC(=O)n1nccc1/C=C/c1c(Cl)cccc1Cl.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(C1CC1)n1ccc(/C=C/c2ccccc2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2cccs2)n1.
What is the InChIKey of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The InChIKey is GESYFNKWZCPSSH-GGCOOJTQSA-N. The full InChI is InChI=1S/C19H16N2O2.C18H13ClN2O.C18H14N2O.C16H11ClN2OS.C16H18N2O2.C15H13N3OS.C15H14N2O.C13H11Cl2N3O/c1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;17-15-6-2-1-5-14(15)16(20)19-10-9-12(18-19)7-8-13-4-3-11-21-13;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;18-15(13-7-8-13)17-11-10-14(16-17)9-6-12-4-2-1-3-5-12;1-16-13(19)18-9(7-8-17-18)5-6-10-11(14)3-2-4-12(10)15/h2-14H,1H3;1-13H;1-14H;1-11H;3,6-11,13H,1-2,4-5,12H2;2-11H,1H3;1-6,9-11,13H,7-8H2;2-8H,1H3,(H,16,19)/b10-7+;11-10+;12-11+;2*8-7+;7-6+;9-6+;6-5+.
What are the key properties of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone has a molecular weight of 2290.37 g/mol, XLogP of 30.01, 25 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 158234063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).