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Benzopyrazoles
Description:
Organic compounds containing a benzene ring fused to a pyrazole ring. Pyrazole is a 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers.
Ancestors:
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5-Chloro-6-methoxy-1H-indazoleCas Number: 1082041-58-4 Compound CID: 53399332Formula: C8H7ClN2O Molecular Weight: 182.61IUPAC Name: 5-chloro-6-methoxy-1H-indazoleSMILES: COC1=C(C=C2C=NNC2=C1)ClInChIKey: GAMOCUFAJHKSDQ-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11) -
5-Chloro-3-methyl-1H-indazoleCas Number: 945265-09-8 Compound CID: 45789794Formula: C8H7ClN2 Molecular Weight: 166.61IUPAC Name: 5-chloro-3-methyl-2H-indazoleSMILES: CC1=C2C=C(C=CC2=NN1)ClInChIKey: UCXGCJNTVZAVLG-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
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5-Chloro-2-methyl-2H-indazoleCas Number: 541539-86-0 Compound CID: 11052029IUPAC Name: 5-chloro-2-methylindazoleSMILES: CN1C=C2C=C(C=CC2=N1)ClInChIKey: ZIVDVXPZNUZSHT-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClN2/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,1H3
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5-Bromo-3-Iodo-1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-IndazoleCas Number: 918440-14-9 Compound CID: 58317256IUPAC Name: 2-[(5-bromo-3-iodoindazol-1-yl)methoxy]ethyl-trimethylsilaneSMILES: C[Si](C)(C)CCOCN1C2=C(C=C(C=C2)Br)C(=N1)IInChIKey: KZCIYZXJEMGNJQ-UHFFFAOYSA-NInChI: InChI=1S/C13H18BrIN2OSi/c1-19(2,3)7-6-18-9-17-12-5-4-10(14)8-11(12)13(15)16-17/h4-5,8H,6-7,9H2,1-3H3
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5-Bromo-3-(methylthio)-1H-indazoleCas Number: 201227-23-8 Compound CID: 53680777Formula: C8H7BrN2S Molecular Weight: 243.13IUPAC Name: 5-bromo-3-methylsulfanyl-1H-indazoleSMILES: CSC1=NNC2=C1C=C(C=C2)BrInChIKey: BGLZAKHTTIEEMC-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrN2S/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
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4，6-Dimethyl-1H-indazoleCas Number: 43120-31-6 Compound CID: 15810469Formula: C9H10N2IUPAC Name: 4,6-dimethyl-1H-indazoleSMILES: CC1=CC(=C2C=NNC2=C1)CInChIKey: LLOIRKZANCKXOG-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2/c1-6-3-7(2)8-5-10-11-9(8)4-6/h3-5H,1-2H3,(H,10,11)
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4，6-Difluoro-3-iodo-1H-indazoleCas Number: 887567-79-5 Compound CID: 24728426Formula: C7H3F2IN2 Molecular Weight: 280.02IUPAC Name: 4,6-difluoro-3-iodo-2H-indazoleSMILES: C1=C(C=C(C2=C(NN=C21)I)F)FInChIKey: ZPAKVKWQWSWWDY-UHFFFAOYSA-NInChI: InChI=1S/C7H3F2IN2/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H,11,12)
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4，6-Dibromo-1H-indazoleCas Number: 447430-07-1 Compound CID: 24728071Formula: C7H4Br2N2 Molecular Weight: 275.93IUPAC Name: 4,6-dibromo-1H-indazoleSMILES: C1=C(C=C(C2=C1NN=C2)Br)BrInChIKey: VISLECNHRSEMPR-UHFFFAOYSA-NInChI: InChI=1S/C7H4Br2N2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
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4，6-Dichloro-1H-indazoleCas Number: 885519-58-4 Compound CID: 24728132Formula: C7H4Cl2N2 Molecular Weight: 187.02IUPAC Name: 4,6-dichloro-1H-indazoleSMILES: C1=C(C=C(C2=C1NN=C2)Cl)ClInChIKey: KTTXUMXAFXKIMN-UHFFFAOYSA-NInChI: InChI=1S/C7H4Cl2N2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
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4-Methyl-7-nitro-1H-indazoleCas Number: 104103-06-2 Compound CID: 22166018Formula: C8H7N3O2 Molecular Weight: 177.16IUPAC Name: 4-methyl-7-nitro-1H-indazoleSMILES: CC1=C2C=NNC2=C(C=C1)[N+](=O)[O-]InChIKey: IALDSOZYXPLUMA-UHFFFAOYSA-NInChI: InChI=1S/C8H7N3O2/c1-5-2-3-7(11(12)13)8-6(5)4-9-10-8/h2-4H,1H3,(H,9,10)
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4-Formyl-1H-indazole-3-carboxylic acidCas Number: 885519-90-4 Compound CID: 24728740Formula: C9H6N2O3 Molecular Weight: 190.16IUPAC Name: 4-formyl-1H-indazole-3-carboxylic acidSMILES: C1=CC(=C2C(=C1)NN=C2C(=O)O)C=OInChIKey: CAXPLHNPOMKHLU-UHFFFAOYSA-NInChI: InChI=1S/C9H6N2O3/c12-4-5-2-1-3-6-7(5)8(9(13)14)11-10-6/h1-4H,(H,10,11)(H,13,14)
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4-Fluoro-6-iodo-1H-indazoleCas Number: 887568-03-8 Compound CID: 24728452IUPAC Name: 4-fluoro-6-iodo-1H-indazoleSMILES: C1=C(C=C(C2=C1NN=C2)F)IInChIKey: YJMLAONQAPAGTB-UHFFFAOYSA-NInChI: InChI=1S/C7H4FIN2/c8-6-1-4(9)2-7-5(6)3-10-11-7/h1-3H,(H,10,11)
