5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole

C64H54ClF6N11O2 — CID 160951952

About 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (PubChem CID 160951952) has the molecular formula C64H54ClF6N11O2 and a molecular weight of 1158.65 g/mol. Its IUPAC name is 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
• PubChem CID: 160951952
• Molecular Formula: C64H54ClF6N11O2
• Molecular Weight: 1158.65 g/mol
• Exact Mass: 1157.41
• IUPAC Name: 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
• SMILES: C(=C/c1cccc2c1OCO2)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccc2ccccc2c1.CN(C)c1ccc(/C=C/c2ccn[nH]2)cc1.FC(F)(F)c1ccc(/C=C/c2ccn[nH]2)c(Cl)c1.FC(F)(F)c1ccccc1/C=C/c1ccn[nH]1
• InChI: InChI=1S/C15H12N2.C13H15N3.C12H8ClF3N2.C12H9F3N2.C12H10N2O2/c1-2-4-14-11-12(5-7-13(14)3-1)6-8-15-9-10-16-17-15;1-16(2)13-7-4-11(5-8-13)3-6-12-9-10-14-15-12;13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10;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/h1-11H,(H,16,17);3-10H,1-2H3,(H,14,15);1-7H,(H,17,18);1-8H,(H,16,17);1-7H,8H2,(H,13,14)/b8-6+;6-3+;4-2+;6-5+;5-4+
• InChIKey: SVWKQLSEKUVXDV-WKGYKFIXSA-N
• XLogP: 16.54
• TPSA: 165.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1158.65
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', '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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole (CID 160951952) is 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is C(=C/c1cccc2c1OCO2)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccc2ccccc2c1.CN(C)c1ccc(/C=C/c2ccn[nH]2)cc1.FC(F)(F)c1ccc(/C=C/c2ccn[nH]2)c(Cl)c1.FC(F)(F)c1ccccc1/C=C/c1ccn[nH]1.

What is the InChIKey of 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole?

The InChIKey is SVWKQLSEKUVXDV-WKGYKFIXSA-N. The full InChI is InChI=1S/C15H12N2.C13H15N3.C12H8ClF3N2.C12H9F3N2.C12H10N2O2/c1-2-4-14-11-12(5-7-13(14)3-1)6-8-15-9-10-16-17-15;1-16(2)13-7-4-11(5-8-13)3-6-12-9-10-14-15-12;13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10;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/h1-11H,(H,16,17);3-10H,1-2H3,(H,14,15);1-7H,(H,17,18);1-8H,(H,16,17);1-7H,8H2,(H,13,14)/b8-6+;6-3+;4-2+;6-5+;5-4+.

What are the key properties of 5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole has a molecular weight of 1158.65 g/mol, XLogP of 16.54, 11 rotatable bonds, 5 hydrogen bond donors, and 8 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-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole is sourced from PubChem (CID 160951952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).