5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole

C137H122Cl2F9N25O8 — CID 160903831

About 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole

5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (PubChem CID 160903831) has the molecular formula C137H122Cl2F9N25O8 and a molecular weight of 2488.54 g/mol. Its IUPAC name is 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;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-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
• PubChem CID: 160903831
• Molecular Formula: C137H122Cl2F9N25O8
• Molecular Weight: 2488.54 g/mol
• Exact Mass: 2485.91
• IUPAC Name: 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
• SMILES: C(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.C(=C/c1cccc2c1OCO2)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccc2ccccc2c1.C(=C/c1ccn[nH]1)\c1ccccc1.CCOC(OCC)c1ccc(/C=C/c2ccn[nH]2)cc1.CN(C)c1ccc(/C=C/c2ccn[nH]2)cc1.COc1ccc(/C=C/c2ccn[nH]2)cc1.Clc1cccc(Cl)c1/C=C/c1ccn[nH]1.FC(F)(F)c1ccc(/C=C/c2ccn[nH]2)c(C(F)(F)F)c1.FC(F)(F)c1ccccc1/C=C/c1ccn[nH]1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1
• InChI: InChI=1S/C16H20N2O2.C15H12N2.C13H8F6N2.C13H11N3.C13H15N3.C12H9F3N2.C12H10N2O2.C12H12N2O.C11H8Cl2N2.C11H10N2.C9H7N3O3/c1-3-19-16(20-4-2)14-8-5-13(6-9-14)7-10-15-11-12-17-18-15;1-2-4-14-11-12(5-7-13(14)3-1)6-8-15-9-10-16-17-15;14-12(15,16)9-3-1-8(11(7-9)13(17,18)19)2-4-10-5-6-20-21-10;1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;1-16(2)13-7-4-11(5-8-13)3-6-12-9-10-14-15-12;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;1-15-12-6-3-10(4-7-12)2-5-11-8-9-13-14-11;12-10-2-1-3-11(13)9(10)5-4-8-6-7-14-15-8;1-2-4-10(5-3-1)6-7-11-8-9-12-13-11;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7/h5-12,16H,3-4H2,1-2H3,(H,17,18);1-11H,(H,16,17);1-7H,(H,20,21);1-9,15H,(H,14,16);3-10H,1-2H3,(H,14,15);1-8H,(H,16,17);1-7H,8H2,(H,13,14);2-9H,1H3,(H,13,14);1-7H,(H,14,15);1-9H,(H,12,13);1-6H,(H,10,11)/b10-7+;8-6+;4-2+;6-5+;6-3+;6-5+;5-4+;5-2+;5-4+;7-6+;2-1+
• InChIKey: SPWBXZILVBGGPQ-CLBDPKKASA-N
• XLogP: 34.75
• TPSA: 436.94 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2488.54
LogP ≤ 5	34.75
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;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-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (CID 160903831) is 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;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-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;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-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is C(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.C(=C/c1cccc2c1OCO2)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccc2ccccc2c1.C(=C/c1ccn[nH]1)\c1ccccc1.CCOC(OCC)c1ccc(/C=C/c2ccn[nH]2)cc1.CN(C)c1ccc(/C=C/c2ccn[nH]2)cc1.COc1ccc(/C=C/c2ccn[nH]2)cc1.Clc1cccc(Cl)c1/C=C/c1ccn[nH]1.FC(F)(F)c1ccc(/C=C/c2ccn[nH]2)c(C(F)(F)F)c1.FC(F)(F)c1ccccc1/C=C/c1ccn[nH]1.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-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?

The InChIKey is SPWBXZILVBGGPQ-CLBDPKKASA-N. The full InChI is InChI=1S/C16H20N2O2.C15H12N2.C13H8F6N2.C13H11N3.C13H15N3.C12H9F3N2.C12H10N2O2.C12H12N2O.C11H8Cl2N2.C11H10N2.C9H7N3O3/c1-3-19-16(20-4-2)14-8-5-13(6-9-14)7-10-15-11-12-17-18-15;1-2-4-14-11-12(5-7-13(14)3-1)6-8-15-9-10-16-17-15;14-12(15,16)9-3-1-8(11(7-9)13(17,18)19)2-4-10-5-6-20-21-10;1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;1-16(2)13-7-4-11(5-8-13)3-6-12-9-10-14-15-12;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;1-15-12-6-3-10(4-7-12)2-5-11-8-9-13-14-11;12-10-2-1-3-11(13)9(10)5-4-8-6-7-14-15-8;1-2-4-10(5-3-1)6-7-11-8-9-12-13-11;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7/h5-12,16H,3-4H2,1-2H3,(H,17,18);1-11H,(H,16,17);1-7H,(H,20,21);1-9,15H,(H,14,16);3-10H,1-2H3,(H,14,15);1-8H,(H,16,17);1-7H,8H2,(H,13,14);2-9H,1H3,(H,13,14);1-7H,(H,14,15);1-9H,(H,12,13);1-6H,(H,10,11)/b10-7+;8-6+;4-2+;6-5+;6-3+;6-5+;5-4+;5-2+;5-4+;7-6+;2-1+.

What are the key properties of 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?

5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole has a molecular weight of 2488.54 g/mol, XLogP of 34.75, 30 rotatable bonds, 12 hydrogen bond donors, and 20 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-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-[4-(diethoxymethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is sourced from PubChem (CID 160903831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).