5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole

C124H117Cl3F3N21O4 — CID 160962716

IUPAC5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole
SMILESC(=C/c1cccc2c1OCC2)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccc2ccccc2c1.C(=C/c1ccn[nH]1)\c1ccccc1.CCOC(C)c1ccc(/C=C/c2ccn[nH]2)cc1.CN(C)c1ccc(/C=C/c2ccn[nH]2)cc1.COc1ccc(/C=C/c2ccn[nH]2)cc1.Cc1ccc(/C=C/c2ccn[nH]2)o1.Cc1ccccc1/C=C/c1ccn[nH]1.Clc1cccc(Cl)c1/C=C/c1ccn[nH]1.FC(F)(F)c1ccc(/C=C/c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C15H18N2O.C15H12N2.C13H15N3.C13H12N2O.C12H8ClF3N2.C12H12N2O.C12H12N2.C11H8Cl2N2.C11H10N2.C10H10N2O/c1-3-18-12(2)14-7-4-13(5-8-14)6-9-15-10-11-16-17-15;1-2-4-14-11-12(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;1-2-10(4-5-12-6-8-14-15-12)13-11(3-1)7-9-16-13;13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10;1-15-12-6-3-10(4-7-12)2-5-11-8-9-13-14-11;1-10-4-2-3-5-11(10)6-7-12-8-9-13-14-12;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;1-8-2-4-10(13-8)5-3-9-6-7-11-12-9/h4-12H,3H2,1-2H3,(H,16,17);1-11H,(H,16,17);3-10H,1-2H3,(H,14,15);1-6,8H,7,9H2,(H,14,15);1-7H,(H,17,18);2-9H,1H3,(H,13,14);2-9H,1H3,(H,13,14);1-7H,(H,14,15);1-9H,(H,12,13);2-7H,1H3,(H,11,12)/b9-6+;8-6+;6-3+;5-4+;4-2+;5-2+;7-6+;5-4+;7-6+;5-3+
InChIKeySXFCTNWJMOBNRT-YWEOYCMNSA-N
MW2128.80 g/mol
LogP31.25
Rot. Bonds25

About 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole

5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole (PubChem CID 160962716) has the molecular formula C124H117Cl3F3N21O4 and a molecular weight of 2128.80 g/mol. Its IUPAC name is 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole
PubChem CID160962716
Molecular FormulaC124H117Cl3F3N21O4
Molecular Weight2128.80 g/mol
Exact Mass2125.86
IUPAC Name5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole
SMILESC(=C/c1cccc2c1OCC2)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccc2ccccc2c1.C(=C/c1ccn[nH]1)\c1ccccc1.CCOC(C)c1ccc(/C=C/c2ccn[nH]2)cc1.CN(C)c1ccc(/C=C/c2ccn[nH]2)cc1.COc1ccc(/C=C/c2ccn[nH]2)cc1.Cc1ccc(/C=C/c2ccn[nH]2)o1.Cc1ccccc1/C=C/c1ccn[nH]1.Clc1cccc(Cl)c1/C=C/c1ccn[nH]1.FC(F)(F)c1ccc(/C=C/c2ccn[nH]2)c(Cl)c1
InChIInChI=1S/C15H18N2O.C15H12N2.C13H15N3.C13H12N2O.C12H8ClF3N2.C12H12N2O.C12H12N2.C11H8Cl2N2.C11H10N2.C10H10N2O/c1-3-18-12(2)14-7-4-13(5-8-14)6-9-15-10-11-16-17-15;1-2-4-14-11-12(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;1-2-10(4-5-12-6-8-14-15-12)13-11(3-1)7-9-16-13;13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10;1-15-12-6-3-10(4-7-12)2-5-11-8-9-13-14-11;1-10-4-2-3-5-11(10)6-7-12-8-9-13-14-12;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;1-8-2-4-10(13-8)5-3-9-6-7-11-12-9/h4-12H,3H2,1-2H3,(H,16,17);1-11H,(H,16,17);3-10H,1-2H3,(H,14,15);1-6,8H,7,9H2,(H,14,15);1-7H,(H,17,18);2-9H,1H3,(H,13,14);2-9H,1H3,(H,13,14);1-7H,(H,14,15);1-9H,(H,12,13);2-7H,1H3,(H,11,12)/b9-6+;8-6+;6-3+;5-4+;4-2+;5-2+;7-6+;5-4+;7-6+;5-3+
InChIKeySXFCTNWJMOBNRT-YWEOYCMNSA-N
XLogP31.25
TPSA330.87 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002128.80
LogP ≤ 531.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole with MolForge

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Related Compounds

5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;bis(5-[(E)-2-phenylethenyl]-1H-pyrazole);5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158044870
5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]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-phenylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158095957
5-[(E)-2-(2-chloro-4-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158253562
5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(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;bis(5-[(E)-2-phenylethenyl]-1H-pyrazole);5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158488810
5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(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;methane;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158538305
5-[(E)-2-[2-chloro-4-(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;bis(5-[(E)-2-phenylethenyl]-1H-pyrazole);5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158633432
5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]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-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 158640037
5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;bis(5-[(E)-2-phenylethenyl]-1H-pyrazole);5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 160735849
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
5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-1H-pyrazole;5-[(E)-2-[2-chloro-4-(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-phenylethenyl]-1H-pyrazole;5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 161763434
1-(2,4-dichlorophenyl)-2-(1H-indazol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-(1H-indazol-5-yl)ethanone;1-(3,4-dimethylphenyl)-2-(1H-indazol-5-yl)ethanone;1-(3-ethoxyphenyl)-2-(1H-indazol-5-yl)ethanone;1-(4-ethylphenyl)-2-(1H-indazol-5-yl)ethanone;2-(1H-indazol-5-yl)-1-(3-methoxyphenyl)ethanone;2-(1H-indazol-5-yl)-1-(4-propan-2-ylphenyl)ethanone;1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-5-yl)ethanone
CID 158399852

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole?
The IUPAC name of 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole (CID 160962716) is 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole is C(=C/c1cccc2c1OCC2)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccc2ccccc2c1.C(=C/c1ccn[nH]1)\c1ccccc1.CCOC(C)c1ccc(/C=C/c2ccn[nH]2)cc1.CN(C)c1ccc(/C=C/c2ccn[nH]2)cc1.COc1ccc(/C=C/c2ccn[nH]2)cc1.Cc1ccc(/C=C/c2ccn[nH]2)o1.Cc1ccccc1/C=C/c1ccn[nH]1.Clc1cccc(Cl)c1/C=C/c1ccn[nH]1.FC(F)(F)c1ccc(/C=C/c2ccn[nH]2)c(Cl)c1.
What is the InChIKey of 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole?
The InChIKey is SXFCTNWJMOBNRT-YWEOYCMNSA-N. The full InChI is InChI=1S/C15H18N2O.C15H12N2.C13H15N3.C13H12N2O.C12H8ClF3N2.C12H12N2O.C12H12N2.C11H8Cl2N2.C11H10N2.C10H10N2O/c1-3-18-12(2)14-7-4-13(5-8-14)6-9-15-10-11-16-17-15;1-2-4-14-11-12(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;1-2-10(4-5-12-6-8-14-15-12)13-11(3-1)7-9-16-13;13-11-7-9(12(14,15)16)3-1-8(11)2-4-10-5-6-17-18-10;1-15-12-6-3-10(4-7-12)2-5-11-8-9-13-14-11;1-10-4-2-3-5-11(10)6-7-12-8-9-13-14-12;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;1-8-2-4-10(13-8)5-3-9-6-7-11-12-9/h4-12H,3H2,1-2H3,(H,16,17);1-11H,(H,16,17);3-10H,1-2H3,(H,14,15);1-6,8H,7,9H2,(H,14,15);1-7H,(H,17,18);2-9H,1H3,(H,13,14);2-9H,1H3,(H,13,14);1-7H,(H,14,15);1-9H,(H,12,13);2-7H,1H3,(H,11,12)/b9-6+;8-6+;6-3+;5-4+;4-2+;5-2+;7-6+;5-4+;7-6+;5-3+.
What are the key properties of 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole?
5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole has a molecular weight of 2128.80 g/mol, XLogP of 31.25, 25 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1H-pyrazole;N,N-dimethyl-4-[(E)-2-(1H-pyrazol-5-yl)ethenyl]aniline;5-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]-1H-pyrazole;5-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(2-methylphenyl)ethenyl]-1H-pyrazole;5-[(E)-2-naphthalen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-phenylethenyl]-1H-pyrazole is sourced from PubChem (CID 160962716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).