2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C115H91Cl3N14O9 — CID 161178808

IUPAC2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCOc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(Cc1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H16N4O.C20H18N2O3.C19H15ClN2O.C19H16N2O2.2C18H13ClN2O/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;1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;20-17-8-4-7-16(13-17)14-19(23)22-12-11-18(21-22)10-9-15-5-2-1-3-6-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14/h1-16H;3-14H,1-2H3;1-13H,14H2;2-14H,1H3;2*1-13H/b10-7+;9-8+;10-9+;10-7+;10-9+;11-6+
InChIKeyUSEBILYWGVHUBC-QMNJFDDVSA-N
MW1919.44 g/mol
LogP24.82
Rot. Bonds23

About 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone

2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 161178808) has the molecular formula C115H91Cl3N14O9 and a molecular weight of 1919.44 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID161178808
Molecular FormulaC115H91Cl3N14O9
Molecular Weight1919.44 g/mol
Exact Mass1916.62
IUPAC Name2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCOc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(Cc1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H16N4O.C20H18N2O3.C19H15ClN2O.C19H16N2O2.2C18H13ClN2O/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;1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;20-17-8-4-7-16(13-17)14-19(23)22-12-11-18(21-22)10-9-15-5-2-1-3-6-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14/h1-16H;3-14H,1-2H3;1-13H,14H2;2-14H,1H3;2*1-13H/b10-7+;9-8+;10-9+;10-7+;10-9+;11-6+
InChIKeyUSEBILYWGVHUBC-QMNJFDDVSA-N
XLogP24.82
TPSA254.85 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001919.44
LogP ≤ 524.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 161178808) is 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone is COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(Cc1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is USEBILYWGVHUBC-QMNJFDDVSA-N. The full InChI is InChI=1S/C21H16N4O.C20H18N2O3.C19H15ClN2O.C19H16N2O2.2C18H13ClN2O/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;1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;20-17-8-4-7-16(13-17)14-19(23)22-12-11-18(21-22)10-9-15-5-2-1-3-6-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14/h1-16H;3-14H,1-2H3;1-13H,14H2;2-14H,1H3;2*1-13H/b10-7+;9-8+;10-9+;10-7+;10-9+;11-6+.
What are the key properties of 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 1919.44 g/mol, XLogP of 24.82, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 161178808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).