5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole

C133H105Cl2F6N19O11 — CID 158018787

About 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole

5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (PubChem CID 158018787) has the molecular formula C133H105Cl2F6N19O11 and a molecular weight of 2330.32 g/mol. Its IUPAC name is 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole.

Molecular Properties

• Compound Name: 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
• PubChem CID: 158018787
• Molecular Formula: C133H105Cl2F6N19O11
• Molecular Weight: 2330.32 g/mol
• Exact Mass: 2327.75
• IUPAC Name: 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
• SMILES: C(=C/c1cccc2c1OCO2)\c1ccn[nH]1.C1=C(/C=C/c2ccn[nH]2)Cc2ccccc21.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.Cc1ccc(/C=C/c2ccn[nH]2)c(Cl)c1.FC(F)(F)c1ccccc1/C=C/c1ccn[nH]1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1
• InChI: InChI=1S/C19H13F3N2O2.C19H16N2O2.C18H13ClN2O.C18H14N2O.C14H12N2.C12H11ClN2.C12H9F3N2.C12H10N2O2.C9H7N3O3/c20-19(21,22)26-17-10-7-15(8-11-17)18(25)24-13-12-16(23-24)9-6-14-4-2-1-3-5-14;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;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;1-2-4-13-10-11(9-12(13)3-1)5-6-14-7-8-15-16-14;1-9-2-3-10(12(13)8-9)4-5-11-6-7-14-15-11;13-12(14,15)11-4-2-1-3-9(11)5-6-10-7-8-16-17-10;1-2-9(4-5-10-6-7-13-14-10)12-11(3-1)15-8-16-12;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7/h1-13H;2-14H,1H3;1-13H;1-14H;1-9H,10H2,(H,15,16);2-8H,1H3,(H,14,15);1-8H,(H,16,17);1-7H,8H2,(H,13,14);1-6H,(H,10,11)/b9-6+;10-7+;11-10+;12-11+;6-5+;5-4+;6-5+;5-4+;2-1+
• InChIKey: FFURBASVZCESBY-NXSMYVOHSA-N
• XLogP: 31.12
• TPSA: 376.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.32
LogP ≤ 5	31.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?

The IUPAC name of 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (CID 158018787) is 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole.

What is the SMILES notation for 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?

The canonical SMILES for 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is C(=C/c1cccc2c1OCO2)\c1ccn[nH]1.C1=C(/C=C/c2ccn[nH]2)Cc2ccccc21.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.Cc1ccc(/C=C/c2ccn[nH]2)c(Cl)c1.FC(F)(F)c1ccccc1/C=C/c1ccn[nH]1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1.

What is the InChIKey of 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?

The InChIKey is FFURBASVZCESBY-NXSMYVOHSA-N. The full InChI is InChI=1S/C19H13F3N2O2.C19H16N2O2.C18H13ClN2O.C18H14N2O.C14H12N2.C12H11ClN2.C12H9F3N2.C12H10N2O2.C9H7N3O3/c20-19(21,22)26-17-10-7-15(8-11-17)18(25)24-13-12-16(23-24)9-6-14-4-2-1-3-5-14;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;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;1-2-4-13-10-11(9-12(13)3-1)5-6-14-7-8-15-16-14;1-9-2-3-10(12(13)8-9)4-5-11-6-7-14-15-11;13-12(14,15)11-4-2-1-3-9(11)5-6-10-7-8-16-17-10;1-2-9(4-5-10-6-7-13-14-10)12-11(3-1)15-8-16-12;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7/h1-13H;2-14H,1H3;1-13H;1-14H;1-9H,10H2,(H,15,16);2-8H,1H3,(H,14,15);1-8H,(H,16,17);1-7H,8H2,(H,13,14);1-6H,(H,10,11)/b9-6+;10-7+;11-10+;12-11+;6-5+;5-4+;6-5+;5-4+;2-1+.

What are the key properties of 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?

5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole has a molecular weight of 2330.32 g/mol, XLogP of 31.12, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(1H-inden-2-yl)ethenyl]-1H-pyrazole;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is sourced from PubChem (CID 158018787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).