1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole

C209H167N25O9S — CID 165019034

IUPAC1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole
SMILESC1=C(c2ccc(-c3ncc(-c4ccccc4)[nH]3)o2)CC(c2ccccc2)=N1.C1=C(c2ccc(C3=CN=C(c4ccccc4)C3)s2)CC(c2ccccc2)=N1.C1=C(c2cccc(C3=CN=C(CCc4ccccc4)C3)c2)CC(CCc2ccccc2)=N1.CC(=O)n1nc(-c2cccc(-c3cc(-c4ccccc4)n(C(C)=O)n3)c2)cc1-c1ccccc1.COc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(OC)cc5)[nH]n4)c3)n[nH]2)cc1.Cn1nc(-c2cccc(-c3cc(-c4ccccc4)n(C)n3)c2)cc1-c1ccccc1.O=C(Oc1ccccc1)C1=NC=C(c2cccc(C3=CN=C(C(=O)Oc4ccccc4)C3)c2)C1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C30H28N2.C28H22N4O2.C28H20N2O4.C26H22N4O2.C26H22N4.C24H18N4.C24H18N2S.C23H17N3O/c1-3-8-23(9-4-1)14-16-29-19-27(21-31-29)25-12-7-13-26(18-25)28-20-30(32-22-28)17-15-24-10-5-2-6-11-24;1-19(33)31-27(21-10-5-3-6-11-21)17-25(29-31)23-14-9-15-24(16-23)26-18-28(32(30-26)20(2)34)22-12-7-4-8-13-22;31-27(33-23-10-3-1-4-11-23)25-15-21(17-29-25)19-8-7-9-20(14-19)22-16-26(30-18-22)28(32)34-24-12-5-2-6-13-24;1-31-21-10-6-17(7-11-21)23-15-25(29-27-23)19-4-3-5-20(14-19)26-16-24(28-30-26)18-8-12-22(32-2)13-9-18;1-29-25(19-10-5-3-6-11-19)17-23(27-29)21-14-9-15-22(16-21)24-18-26(30(2)28-24)20-12-7-4-8-13-20;1-3-8-17(9-4-1)21-15-23(27-25-21)19-12-7-13-20(14-19)24-16-22(26-28-24)18-10-5-2-6-11-18;1-3-7-17(8-4-1)21-13-19(15-25-21)23-11-12-24(27-23)20-14-22(26-16-20)18-9-5-2-6-10-18;1-3-7-16(8-4-1)19-13-18(14-24-19)21-11-12-22(27-21)23-25-15-20(26-23)17-9-5-2-6-10-17/h1-13,18,21-22H,14-17,19-20H2;3-18H,1-2H3;1-14,17-18H,15-16H2;3-16H,1-2H3,(H,27,29)(H,28,30);3-18H,1-2H3;1-16H,(H,25,27)(H,26,28);1-12,15-16H,13-14H2;1-12,14-15H,13H2,(H,25,26)
InChIKeyKWJFXWFXJDTAGE-UHFFFAOYSA-N
MW3204.87 g/mol
LogP47.89
Rot. Bonds40

About 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole

1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole (PubChem CID 165019034) has the molecular formula C209H167N25O9S and a molecular weight of 3204.87 g/mol. Its IUPAC name is 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole.

Molecular Properties

Compound Name1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole
PubChem CID165019034
Molecular FormulaC209H167N25O9S
Molecular Weight3204.87 g/mol
Exact Mass3202.31
IUPAC Name1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole
SMILESC1=C(c2ccc(-c3ncc(-c4ccccc4)[nH]3)o2)CC(c2ccccc2)=N1.C1=C(c2ccc(C3=CN=C(c4ccccc4)C3)s2)CC(c2ccccc2)=N1.C1=C(c2cccc(C3=CN=C(CCc4ccccc4)C3)c2)CC(CCc2ccccc2)=N1.CC(=O)n1nc(-c2cccc(-c3cc(-c4ccccc4)n(C(C)=O)n3)c2)cc1-c1ccccc1.COc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(OC)cc5)[nH]n4)c3)n[nH]2)cc1.Cn1nc(-c2cccc(-c3cc(-c4ccccc4)n(C)n3)c2)cc1-c1ccccc1.O=C(Oc1ccccc1)C1=NC=C(c2cccc(C3=CN=C(C(=O)Oc4ccccc4)C3)c2)C1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C30H28N2.C28H22N4O2.C28H20N2O4.C26H22N4O2.C26H22N4.C24H18N4.C24H18N2S.C23H17N3O/c1-3-8-23(9-4-1)14-16-29-19-27(21-31-29)25-12-7-13-26(18-25)28-20-30(32-22-28)17-15-24-10-5-2-6-11-24;1-19(33)31-27(21-10-5-3-6-11-21)17-25(29-31)23-14-9-15-24(16-23)26-18-28(32(30-26)20(2)34)22-12-7-4-8-13-22;31-27(33-23-10-3-1-4-11-23)25-15-21(17-29-25)19-8-7-9-20(14-19)22-16-26(30-18-22)28(32)34-24-12-5-2-6-13-24;1-31-21-10-6-17(7-11-21)23-15-25(29-27-23)19-4-3-5-20(14-19)26-16-24(28-30-26)18-8-12-22(32-2)13-9-18;1-29-25(19-10-5-3-6-11-19)17-23(27-29)21-14-9-15-22(16-21)24-18-26(30(2)28-24)20-12-7-4-8-13-20;1-3-8-17(9-4-1)21-15-23(27-25-21)19-12-7-13-20(14-19)24-16-22(26-28-24)18-10-5-2-6-11-18;1-3-7-17(8-4-1)21-13-19(15-25-21)23-11-12-24(27-23)20-14-22(26-16-20)18-9-5-2-6-10-18;1-3-7-16(8-4-1)19-13-18(14-24-19)21-11-12-22(27-21)23-25-15-20(26-23)17-9-5-2-6-10-17/h1-13,18,21-22H,14-17,19-20H2;3-18H,1-2H3;1-14,17-18H,15-16H2;3-16H,1-2H3,(H,27,29)(H,28,30);3-18H,1-2H3;1-16H,(H,25,27)(H,26,28);1-12,15-16H,13-14H2;1-12,14-15H,13H2,(H,25,26)
InChIKeyKWJFXWFXJDTAGE-UHFFFAOYSA-N
XLogP47.89
TPSA419.54 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003204.87
LogP ≤ 547.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole with MolForge

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Related Compounds

N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;4-(5-methyl-4-phenyl-1H-imidazol-2-yl)-2-phenyltriazole;5-methyl-4-phenyl-2-(5-phenylthiophen-2-yl)-1H-imidazole;5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole;5-methyl-4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-1H-imidazole
CID 157080033
N,N-dimethyl-2-[5-(5-methyl-4-phenyl-1H-imidazol-2-yl)furan-2-yl]aniline;4-(5-methyl-4-phenyl-1H-imidazol-2-yl)-2-phenyltriazole;5-methyl-4-phenyl-2-(5-phenylthiophen-2-yl)-1H-imidazole;5-methyl-4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-1H-imidazole
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N,N-dimethyl-2-[5-(5-methyl-4-phenyl-1H-imidazol-2-yl)furan-2-yl]aniline;N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;4-(5-methyl-4-phenyl-1H-imidazol-2-yl)-2-phenyltriazole;5-methyl-4-phenyl-2-(5-phenylthiophen-2-yl)-1H-imidazole;5-(2-methylphenyl)-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole;5-methyl-4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-3-yl]-1H-imidazole
CID 158493008
2,5-dimethyl-6,7-dihydro-1H-benzimidazole;2,5-dimethyl-6,7-dihydro-1-benzofuran;2,6-dimethyl-4,5-dihydro-1-benzofuran;2,5-dimethyl-6,7-dihydro-1,3-benzothiazole;2,6-dimethyl-4,5-dihydro-1,3-benzothiazole;2,5-dimethyl-6,7-dihydro-1-benzothiophene;2,6-dimethyl-4,5-dihydro-1-benzothiophene;2,6-dimethyl-4,5-dihydrobenzotriazole;2,5-dimethyl-6,7-dihydro-1,3-benzoxazole;2,6-dimethyl-4,5-dihydro-1,3-benzoxazole;2,5-dimethyl-6,7-dihydroindazole;2,6-dimethyl-4,5-dihydroindazole;2,6-dimethyl-4,5-dihydro-1H-indene;2,5-dimethyl-6,7-dihydro-1H-indole;2,5-dimethyl-6,7-dihydro-3H-indole
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2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;molecular hydrogen
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5-cyclohexyl-3-methyl-1,2-oxazole;5-methyl-2-phenyl-1H-imidazole;2-methyl-5-phenyl-1,3,4-oxadiazole;3-methyl-5-phenyl-1,2,4-oxadiazole;5-methyl-3-phenyl-1,2,4-oxadiazole;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-3-phenyl-1,2-oxazole;5-methyl-3-phenyl-1H-pyrazole;2-methyl-5-phenyl-1,3-thiazole
CID 158000298
methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine
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2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 159390162
3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole
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2-cyclohexyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1H-imidazole-5-carboxamide;1-cyclopentyl-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;2-cyclopentyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide;molecular hydrogen
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2,6-dimethyl-6,7-dihydro-1H-benzimidazole;2,5-dimethyl-4,5-dihydro-1-benzofuran;2,6-dimethyl-6,7-dihydro-1-benzofuran;2,5-dimethyl-4,5-dihydro-1,3-benzothiazole;2,6-dimethyl-6,7-dihydro-1,3-benzothiazole;2,5-dimethyl-4,5-dihydro-1-benzothiophene;2,6-dimethyl-6,7-dihydro-1-benzothiophene;2,5-dimethyl-4,5-dihydrobenzotriazole;2,5-dimethyl-4,5-dihydro-1,3-benzoxazole;2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;2,5-dimethyl-4,5-dihydroindazole;2,6-dimethyl-6,7-dihydroindazole;2,6-dimethyl-6,7-dihydro-1H-indene;2,5-dimethyl-4,5-dihydro-1H-indole;2,5-dimethyl-4,5-dihydro-3H-indole
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole?
The IUPAC name of 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole (CID 165019034) is 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole.
What is the SMILES notation for 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole?
The canonical SMILES for 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole is C1=C(c2ccc(-c3ncc(-c4ccccc4)[nH]3)o2)CC(c2ccccc2)=N1.C1=C(c2ccc(C3=CN=C(c4ccccc4)C3)s2)CC(c2ccccc2)=N1.C1=C(c2cccc(C3=CN=C(CCc4ccccc4)C3)c2)CC(CCc2ccccc2)=N1.CC(=O)n1nc(-c2cccc(-c3cc(-c4ccccc4)n(C(C)=O)n3)c2)cc1-c1ccccc1.COc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(OC)cc5)[nH]n4)c3)n[nH]2)cc1.Cn1nc(-c2cccc(-c3cc(-c4ccccc4)n(C)n3)c2)cc1-c1ccccc1.O=C(Oc1ccccc1)C1=NC=C(c2cccc(C3=CN=C(C(=O)Oc4ccccc4)C3)c2)C1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[nH]n4)c3)n[nH]2)cc1.
What is the InChIKey of 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole?
The InChIKey is KWJFXWFXJDTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2.C28H22N4O2.C28H20N2O4.C26H22N4O2.C26H22N4.C24H18N4.C24H18N2S.C23H17N3O/c1-3-8-23(9-4-1)14-16-29-19-27(21-31-29)25-12-7-13-26(18-25)28-20-30(32-22-28)17-15-24-10-5-2-6-11-24;1-19(33)31-27(21-10-5-3-6-11-21)17-25(29-31)23-14-9-15-24(16-23)26-18-28(32(30-26)20(2)34)22-12-7-4-8-13-22;31-27(33-23-10-3-1-4-11-23)25-15-21(17-29-25)19-8-7-9-20(14-19)22-16-26(30-18-22)28(32)34-24-12-5-2-6-13-24;1-31-21-10-6-17(7-11-21)23-15-25(29-27-23)19-4-3-5-20(14-19)26-16-24(28-30-26)18-8-12-22(32-2)13-9-18;1-29-25(19-10-5-3-6-11-19)17-23(27-29)21-14-9-15-22(16-21)24-18-26(30(2)28-24)20-12-7-4-8-13-20;1-3-8-17(9-4-1)21-15-23(27-25-21)19-12-7-13-20(14-19)24-16-22(26-28-24)18-10-5-2-6-11-18;1-3-7-17(8-4-1)21-13-19(15-25-21)23-11-12-24(27-23)20-14-22(26-16-20)18-9-5-2-6-10-18;1-3-7-16(8-4-1)19-13-18(14-24-19)21-11-12-22(27-21)23-25-15-20(26-23)17-9-5-2-6-10-17/h1-13,18,21-22H,14-17,19-20H2;3-18H,1-2H3;1-14,17-18H,15-16H2;3-16H,1-2H3,(H,27,29)(H,28,30);3-18H,1-2H3;1-16H,(H,25,27)(H,26,28);1-12,15-16H,13-14H2;1-12,14-15H,13H2,(H,25,26).
What are the key properties of 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole?
1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole has a molecular weight of 3204.87 g/mol, XLogP of 47.89, 40 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;1-methyl-3-[3-(1-methyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;2-(2-phenylethyl)-4-[3-[2-(2-phenylethyl)-3H-pyrrol-4-yl]phenyl]-3H-pyrrole;phenyl 4-[3-(2-phenoxycarbonyl-3H-pyrrol-4-yl)phenyl]-3H-pyrrole-2-carboxylate;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole;5-phenyl-2-[5-(2-phenyl-3H-pyrrol-4-yl)furan-2-yl]-1H-imidazole;2-phenyl-4-[5-(2-phenyl-3H-pyrrol-4-yl)thiophen-2-yl]-3H-pyrrole is sourced from PubChem (CID 165019034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).