(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone

C126H105Cl3N16O10 — CID 158026544

IUPAC(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone
SMILESCOc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CCCCC1)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.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(n1cccn1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C20H18N2O3.C19H16N2O2.3C18H13ClN2O.C18H20N2O.C15H12N4O/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;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;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;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;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;20-15(18-11-4-10-16-18)19-12-9-14(17-19)8-7-13-5-2-1-3-6-13/h3-14H,1-2H3;2-14H,1H3;3*1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2;1-12H/b9-8+;10-7+;11-10+;10-9+;11-6+;12-11+;8-7+
InChIKeyFGQZWQMNNWKFTH-WMRUKEFXSA-N
MW2109.69 g/mol
LogP27.74
Rot. Bonds23

About (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone

(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone (PubChem CID 158026544) has the molecular formula C126H105Cl3N16O10 and a molecular weight of 2109.69 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone
PubChem CID158026544
Molecular FormulaC126H105Cl3N16O10
Molecular Weight2109.69 g/mol
Exact Mass2106.73
IUPAC Name(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone
SMILESCOc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CCCCC1)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.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(n1cccn1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C20H18N2O3.C19H16N2O2.3C18H13ClN2O.C18H20N2O.C15H12N4O/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;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;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;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;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;20-15(18-11-4-10-16-18)19-12-9-14(17-19)8-7-13-5-2-1-3-6-13/h3-14H,1-2H3;2-14H,1H3;3*1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2;1-12H/b9-8+;10-7+;11-10+;10-9+;11-6+;12-11+;8-7+
InChIKeyFGQZWQMNNWKFTH-WMRUKEFXSA-N
XLogP27.74
TPSA289.74 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002109.69
LogP ≤ 527.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone 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;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone?
The IUPAC name of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone (CID 158026544) is (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone?
The canonical SMILES for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone is COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CCCCC1)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.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(n1cccn1)n1ccc(/C=C/c2ccccc2)n1.
What is the InChIKey of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone?
The InChIKey is FGQZWQMNNWKFTH-WMRUKEFXSA-N. The full InChI is InChI=1S/C20H18N2O3.C19H16N2O2.3C18H13ClN2O.C18H20N2O.C15H12N4O/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;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;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;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;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;20-15(18-11-4-10-16-18)19-12-9-14(17-19)8-7-13-5-2-1-3-6-13/h3-14H,1-2H3;2-14H,1H3;3*1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2;1-12H/b9-8+;10-7+;11-10+;10-9+;11-6+;12-11+;8-7+.
What are the key properties of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone?
(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone has a molecular weight of 2109.69 g/mol, XLogP of 27.74, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[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]-pyrazol-1-ylmethanone is sourced from PubChem (CID 158026544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).