1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

C118H94F9N13O11 — CID 159614459

IUPAC1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
SMILESC.O=C(c1ccc(N2CCCCC2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc2c(c1)OCO2)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C23H23N3O.3C19H13F3N2O2.C19H14N2O3.C18H14N2O.CH4/c27-23(20-10-13-22(14-11-20)25-16-5-2-6-17-25)26-18-15-21(24-26)12-9-19-7-3-1-4-8-19;20-19(21,22)26-17-9-5-4-8-16(17)18(25)24-13-12-15(23-24)11-10-14-6-2-1-3-7-14;20-19(21,22)26-17-8-4-7-15(13-17)18(25)24-12-11-16(23-24)10-9-14-5-2-1-3-6-14;20-19(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;22-19(15-7-9-17-18(12-15)24-13-23-17)21-11-10-16(20-21)8-6-14-4-2-1-3-5-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;/h1,3-4,7-15,18H,2,5-6,16-17H2;3*1-13H;1-12H,13H2;1-14H;1H4/b12-9+;11-10+;10-9+;9-6+;8-6+;12-11+;
InChIKeyMNCMBEWSJXPKCV-RXDSMDDPSA-N
MW2041.11 g/mol
LogP26.50
Rot. Bonds22

About 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (PubChem CID 159614459) has the molecular formula C118H94F9N13O11 and a molecular weight of 2041.11 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
PubChem CID159614459
Molecular FormulaC118H94F9N13O11
Molecular Weight2041.11 g/mol
Exact Mass2039.71
IUPAC Name1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
SMILESC.O=C(c1ccc(N2CCCCC2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc2c(c1)OCO2)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C23H23N3O.3C19H13F3N2O2.C19H14N2O3.C18H14N2O.CH4/c27-23(20-10-13-22(14-11-20)25-16-5-2-6-17-25)26-18-15-21(24-26)12-9-19-7-3-1-4-8-19;20-19(21,22)26-17-9-5-4-8-16(17)18(25)24-13-12-15(23-24)11-10-14-6-2-1-3-7-14;20-19(21,22)26-17-8-4-7-15(13-17)18(25)24-12-11-16(23-24)10-9-14-5-2-1-3-6-14;20-19(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;22-19(15-7-9-17-18(12-15)24-13-23-17)21-11-10-16(20-21)8-6-14-4-2-1-3-5-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;/h1,3-4,7-15,18H,2,5-6,16-17H2;3*1-13H;1-12H,13H2;1-14H;1H4/b12-9+;11-10+;10-9+;9-6+;8-6+;12-11+;
InChIKeyMNCMBEWSJXPKCV-RXDSMDDPSA-N
XLogP26.50
TPSA258.73 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.11
LogP ≤ 526.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone with MolForge

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Related Compounds

1,3-benzodioxol-5-yl-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]methanone;(2,3-difluoro-4-methoxyphenyl)-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[3-(difluoromethoxy)phenyl]-[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluoro-4-methylphenyl)methanone;[5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-[3-fluoro-2-(trifluoromethyl)phenyl]methanone;1-[3-(3,4-dimethoxyphenyl)-5,5-dimethyl-4H-pyrazol-1-yl]-3-(3-fluorophenyl)propan-1-one;[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-(3-fluorophenyl)methanone;[5-(4-fluoro-3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3-fluorophenyl)methanone
CID 157251984
1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate
CID 157682178
1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;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 157988636
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 158096776
1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;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 158538951
1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate
CID 159123947
1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 160133424
1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 160813518
1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
CID 161153325
1,3-benzodioxol-5-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(3-ethynylphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;[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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate
CID 161723663
1,3-benzodioxol-5-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;phenyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzonitrile;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 161747911
1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
CID 161985418

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (CID 159614459) is 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is C.O=C(c1ccc(N2CCCCC2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc2c(c1)OCO2)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The InChIKey is MNCMBEWSJXPKCV-RXDSMDDPSA-N. The full InChI is InChI=1S/C23H23N3O.3C19H13F3N2O2.C19H14N2O3.C18H14N2O.CH4/c27-23(20-10-13-22(14-11-20)25-16-5-2-6-17-25)26-18-15-21(24-26)12-9-19-7-3-1-4-8-19;20-19(21,22)26-17-9-5-4-8-16(17)18(25)24-13-12-15(23-24)11-10-14-6-2-1-3-7-14;20-19(21,22)26-17-8-4-7-15(13-17)18(25)24-12-11-16(23-24)10-9-14-5-2-1-3-6-14;20-19(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;22-19(15-7-9-17-18(12-15)24-13-23-17)21-11-10-16(20-21)8-6-14-4-2-1-3-5-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;/h1,3-4,7-15,18H,2,5-6,16-17H2;3*1-13H;1-12H,13H2;1-14H;1H4/b12-9+;11-10+;10-9+;9-6+;8-6+;12-11+;.
What are the key properties of 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone has a molecular weight of 2041.11 g/mol, XLogP of 26.50, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;methane;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-piperidin-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 159614459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).