1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C115H83ClF9N19O17 — CID 160960524

IUPAC1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1nnc(N2N=CCC2/C=C/c2cccc(Cl)c2)n1N.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc2c(c1)OCO2)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccco2)n1
InChIInChI=1S/3C17H11F3N2O3.C17H11N3O2.C17H12N2O4.C16H12N2O2.C14H15ClN6/c18-17(19,20)25-15-4-1-3-12(11-15)16(23)22-9-8-13(21-22)6-7-14-5-2-10-24-14;18-17(19,20)25-15-6-3-12(4-7-15)16(23)22-10-9-13(21-22)5-8-14-2-1-11-24-14;18-17(19,20)25-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-24-13;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;20-17(12-3-6-15-16(10-12)23-11-22-15)19-8-7-13(18-19)4-5-14-2-1-9-21-14;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-10-18-19-14(20(10)16)21-13(7-8-17-21)6-5-11-3-2-4-12(15)9-11/h3*1-11H;1-11H;1-10H,11H2;1-12H;2-6,8-9,13H,7,16H2,1H3/b7-6+;8-5+;8-7+;7-6+;5-4+;9-8+;6-5+
InChIKeySWYJJTSNWYSZPJ-DVPYBUHUSA-N
MW2209.48 g/mol
LogP24.54
Rot. Bonds24

About 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 160960524) has the molecular formula C115H83ClF9N19O17 and a molecular weight of 2209.48 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID160960524
Molecular FormulaC115H83ClF9N19O17
Molecular Weight2209.48 g/mol
Exact Mass2207.58
IUPAC Name1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCc1nnc(N2N=CCC2/C=C/c2cccc(Cl)c2)n1N.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc2c(c1)OCO2)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccco2)n1
InChIInChI=1S/3C17H11F3N2O3.C17H11N3O2.C17H12N2O4.C16H12N2O2.C14H15ClN6/c18-17(19,20)25-15-4-1-3-12(11-15)16(23)22-9-8-13(21-22)6-7-14-5-2-10-24-14;18-17(19,20)25-15-6-3-12(4-7-15)16(23)22-10-9-13(21-22)5-8-14-2-1-11-24-14;18-17(19,20)25-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-24-13;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;20-17(12-3-6-15-16(10-12)23-11-22-15)19-8-7-13(18-19)4-5-14-2-1-9-21-14;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-10-18-19-14(20(10)16)21-13(7-8-17-21)6-5-11-3-2-4-12(15)9-11/h3*1-11H;1-11H;1-10H,11H2;1-12H;2-6,8-9,13H,7,16H2,1H3/b7-6+;8-5+;8-7+;7-6+;5-4+;9-8+;6-5+
InChIKeySWYJJTSNWYSZPJ-DVPYBUHUSA-N
XLogP24.54
TPSA430.45 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002209.48
LogP ≤ 524.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 160960524) is 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is Cc1nnc(N2N=CCC2/C=C/c2cccc(Cl)c2)n1N.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc2c(c1)OCO2)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccco2)n1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is SWYJJTSNWYSZPJ-DVPYBUHUSA-N. The full InChI is InChI=1S/3C17H11F3N2O3.C17H11N3O2.C17H12N2O4.C16H12N2O2.C14H15ClN6/c18-17(19,20)25-15-4-1-3-12(11-15)16(23)22-9-8-13(21-22)6-7-14-5-2-10-24-14;18-17(19,20)25-15-6-3-12(4-7-15)16(23)22-10-9-13(21-22)5-8-14-2-1-11-24-14;18-17(19,20)25-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-24-13;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;20-17(12-3-6-15-16(10-12)23-11-22-15)19-8-7-13(18-19)4-5-14-2-1-9-21-14;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-10-18-19-14(20(10)16)21-13(7-8-17-21)6-5-11-3-2-4-12(15)9-11/h3*1-11H;1-11H;1-10H,11H2;1-12H;2-6,8-9,13H,7,16H2,1H3/b7-6+;8-5+;8-7+;7-6+;5-4+;9-8+;6-5+.
What are the key properties of 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 2209.48 g/mol, XLogP of 24.54, 24 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 160960524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).