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Substituted pyrroles
Description:
Heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
Ancestors:
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Carbamic acid, N-1H-pyrrol-2-yl-, 1,1-dimethylethyl esterCas Number: 1784224-90-3Formula: C9H14N2O2 Molecular Weight: 182.2197SMILES: CC(C)(C)OC(=O)NC1=CC=CN1InChIKey: FMZRREGKVGYJDA-UHFFFAOYSA-NInChI: InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10-7/h4-6,10H,1-3H3,(H,11,12)
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2,3-Dimethyl-1H-PyrroleCas Number: 600-28-2Formula: C6H9N Molecular Weight: 95.1424SMILES: CC1=C(NC=C1)CInChIKey: OUYLXVQKVBXUGW-UHFFFAOYSA-NInChI: InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3
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4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrileCas Number: 122454-29-9 Compound CID: 183559Formula: C12H5BrClF3N2 Molecular Weight: 349.53IUPAC Name: 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrileSMILES: C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)ClInChIKey: XNFIRYXKTXAHAC-UHFFFAOYSA-NInChI: InChI=1S/C12H5BrClF3N2/c13-9-8(5-18)10(19-11(9)12(15,16)17)6-1-3-7(14)4-2-6/h1-4,19H
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2-amino-4-methyl-1-propylpyrrole-3-carbonitrileCas Number: 804519-27-5Formula: C9H13N3 Molecular Weight: 163.22SMILES: CCCN1C=C(C(=C1N)C#N)CInChIKey: YXHGHIPMRPOBRH-UHFFFAOYSA-NInChI: InChI=1S/C9H13N3/c1-3-4-12-6-7(2)8(5-10)9(12)11/h6H,3-4,11H2,1-2H3
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1-Phenyl-1H-indole-3-carbaldehydeCas Number: 32542-59-9 Compound CID: 12377926IUPAC Name: 1-phenylindole-3-carbaldehydeSMILES: C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=OInChIKey: KCAGQLHYSPGZNH-UHFFFAOYSA-NInChI: InChI=1S/C15H11NO/c17-11-12-10-16(13-6-2-1-3-7-13)15-9-5-4-8-14(12)15/h1-11H
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3-(Pyrrol-3-yl)propionic acidCas Number: 134448-22-9 Compound CID: 22135411Formula: C7H9NO2 Molecular Weight: 139.154IUPAC Name: 3-(1H-pyrrol-3-yl)propanoic acidSMILES: C1=CNC=C1CCC(=O)OInChIKey: RJYXUUHRYSSIKQ-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO2/c9-7(10)2-1-6-3-4-8-5-6/h3-5,8H,1-2H2,(H,9,10)
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3-(4-Fluorophenyl)-1H-indoleCas Number: 101125-32-0 Compound CID: 13448901Formula: C14H10FN Molecular Weight: 211.24IUPAC Name: 3-(4-fluorophenyl)-1H-indoleSMILES: C1=CC=C2C(=C1)C(=CN2)C3=CC=C(C=C3)FInChIKey: JFVIPMRWCFOHBG-UHFFFAOYSA-NInChI: InChI=1S/C14H10FN/c15-11-7-5-10(6-8-11)13-9-16-14-4-2-1-3-12(13)14/h1-9,16H
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3-(4-Fluorophenyl)-1-isopropylindole-2-carbaldehydeCas Number: 101125-34-2 Compound CID: 11312061IUPAC Name: 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehydeSMILES: CC(C)N1C2=CC=CC=C2C(=C1C=O)C3=CC=C(C=C3)FInChIKey: NPWWALYZZIFFPB-UHFFFAOYSA-NInChI: InChI=1S/C18H16FNO/c1-12(2)20-16-6-4-3-5-15(16)18(17(20)11-21)13-7-9-14(19)10-8-13/h3-12H,1-2H3
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3-(1H-Pyrrol-1-yl)propan-1-amineCas Number: 60794-90-3 Compound CID: 4585582Formula: C7H12N2 Molecular Weight: 124.18IUPAC Name: 3-pyrrol-1-ylpropan-1-amineSMILES: C1=CN(C=C1)CCCNInChIKey: CNRYJJXBFLHSJP-UHFFFAOYSA-NInChI: InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7-8H2
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2,5-Di-tert-butyl-1H-pyrroleCas Number: 3760-56-3 Compound CID: 12722274Formula: C12H21N Molecular Weight: 179.31IUPAC Name: 2,5-ditert-butyl-1H-pyrroleSMILES: CC(C)(C)C1=CC=C(N1)C(C)(C)CInChIKey: XCHCBBMKEGFANZ-UHFFFAOYSA-NInChI: InChI=1S/C12H21N/c1-11(2,3)9-7-8-10(13-9)12(4,5)6/h7-8,13H,1-6H3
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2-Phenyl-1H-pyrrolo[3,2-b]pyridineCas Number: 25797-03-9 Compound CID: 11310078Formula: C13H10N2 Molecular Weight: 194.24IUPAC Name: 2-phenyl-1H-pyrrolo[3,2-b]pyridineSMILES: C1=CC=C(C=C1)C2=CC3=C(N2)C=CC=N3InChIKey: MHTVGGZESFVQIQ-UHFFFAOYSA-NInChI: InChI=1S/C13H10N2/c1-2-5-10(6-3-1)12-9-13-11(15-12)7-4-8-14-13/h1-9,15H
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2-(5-cyano-1-methyl-1H-pyrrol-2-yl)aceticacidCas Number: 71290-65-8 Compound CID: 15571534Formula: C8H8N2O2 Molecular Weight: 164.16IUPAC Name: 2-(5-cyano-1-methylpyrrol-2-yl)acetic acidSMILES: CN1C(=CC=C1C#N)CC(=O)OInChIKey: APMOBEWQZBWHBO-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O2/c1-10-6(4-8(11)12)2-3-7(10)5-9/h2-3H,4H2,1H3,(H,11,12)
