(2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C118H101ClN18O15S — CID 161234821

IUPAC(2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCN(C)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.COc1ccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c(OC)c1.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(C1CCC1)n1ccc(/C=C/c2ccco2)n1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccco2)n1
InChIInChI=1S/C19H14N4O2.C18H17N3OS.C18H16N2O4.C17H11N3O2.C16H11ClN2O2.C16H18N2O2.C14H14N2O2/c24-19(15-4-7-17(8-5-15)22-12-2-11-20-22)23-13-10-16(21-23)6-9-18-3-1-14-25-18;1-20(2)16-8-5-14(6-9-16)18(22)21-12-11-15(19-21)7-10-17-4-3-13-23-17;1-22-15-7-8-16(17(12-15)23-2)18(21)20-10-9-13(19-20)5-6-14-4-3-11-24-14;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;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(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h1-14H;3-13H,1-2H3;3-12H,1-2H3;1-11H;1-11H;4,7-13H,1-3,5-6H2;2,5-11H,1,3-4H2/b9-6+;10-7+;6-5+;7-6+;8-7+;9-8+;7-6+
InChIKeyUZFRFXQCHLXJNM-RTHFNHMISA-N
MW2078.74 g/mol
LogP24.89
Rot. Bonds25

About (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone

(2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 161234821) has the molecular formula C118H101ClN18O15S and a molecular weight of 2078.74 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID161234821
Molecular FormulaC118H101ClN18O15S
Molecular Weight2078.74 g/mol
Exact Mass2076.71
IUPAC Name(2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCN(C)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.COc1ccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c(OC)c1.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(C1CCC1)n1ccc(/C=C/c2ccco2)n1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccco2)n1
InChIInChI=1S/C19H14N4O2.C18H17N3OS.C18H16N2O4.C17H11N3O2.C16H11ClN2O2.C16H18N2O2.C14H14N2O2/c24-19(15-4-7-17(8-5-15)22-12-2-11-20-22)23-13-10-16(21-23)6-9-18-3-1-14-25-18;1-20(2)16-8-5-14(6-9-16)18(22)21-12-11-15(19-21)7-10-17-4-3-13-23-17;1-22-15-7-8-16(17(12-15)23-2)18(21)20-10-9-13(19-20)5-6-14-4-3-11-24-14;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;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(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h1-14H;3-13H,1-2H3;3-12H,1-2H3;1-11H;1-11H;4,7-13H,1-3,5-6H2;2,5-11H,1,3-4H2/b9-6+;10-7+;6-5+;7-6+;8-7+;9-8+;7-6+
InChIKeyUZFRFXQCHLXJNM-RTHFNHMISA-N
XLogP24.89
TPSA386.38 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.74
LogP ≤ 524.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 161234821) is (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone is CN(C)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.COc1ccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c(OC)c1.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(C1CCC1)n1ccc(/C=C/c2ccco2)n1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccco2)n1.
What is the InChIKey of (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is UZFRFXQCHLXJNM-RTHFNHMISA-N. The full InChI is InChI=1S/C19H14N4O2.C18H17N3OS.C18H16N2O4.C17H11N3O2.C16H11ClN2O2.C16H18N2O2.C14H14N2O2/c24-19(15-4-7-17(8-5-15)22-12-2-11-20-22)23-13-10-16(21-23)6-9-18-3-1-14-25-18;1-20(2)16-8-5-14(6-9-16)18(22)21-12-11-15(19-21)7-10-17-4-3-13-23-17;1-22-15-7-8-16(17(12-15)23-2)18(21)20-10-9-13(19-20)5-6-14-4-3-11-24-14;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;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(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h1-14H;3-13H,1-2H3;3-12H,1-2H3;1-11H;1-11H;4,7-13H,1-3,5-6H2;2,5-11H,1,3-4H2/b9-6+;10-7+;6-5+;7-6+;8-7+;9-8+;7-6+.
What are the key properties of (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
(2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 2078.74 g/mol, XLogP of 24.89, 25 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 161234821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).