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Pyrazolopyrimidines
Description:
Compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
Ancestors:
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3-Bromo-7-chloropyrazolo[1，5-a]pyrimidineCas Number: 877173-84-7 Compound CID: 21897627Formula: C6H3BrClN3 Molecular Weight: 232.47IUPAC Name: 3-bromo-7-chloropyrazolo[1,5-a]pyrimidineSMILES: C1=C(N2C(=C(C=N2)Br)N=C1)ClInChIKey: LZWBPGVLNBNKSM-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrClN3/c7-4-3-10-11-5(8)1-2-9-6(4)11/h1-3H -
1-Cyclopentyl-3-iodo-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 330794-31-5 Compound CID: 22346808Formula: C10H12IN5 Molecular Weight: 329.14IUPAC Name: 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amineSMILES: C1CCC(C1)N2C3=NC=NC(=C3C(=N2)I)NInChIKey: KNIKEMBOLNWAAC-UHFFFAOYSA-NInChI: InChI=1S/C10H12IN5/c11-8-7-9(12)13-5-14-10(7)16(15-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
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ethyl 5-methyl-7-oxo-4H，7H-pyrazolo[1，5-a]pyrimidine-3-carboxylateCas Number: 77493-86-8 Compound CID: 2816397Formula: C10H11N3O3 Molecular Weight: 221.21IUPAC Name: ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylateSMILES: CCOC(=O)C1=CNN2C1=NC(=CC2=O)CInChIKey: OSNRZZJSYFZSBR-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-13-8(14)4-6(2)12-9(7)13/h4-5,11H,3H2,1-2H3
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N，1-Dimethyl-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 5334-49-6 Compound CID: 219753Formula: C7H9N5 Molecular Weight: 163.18IUPAC Name: N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CNC1=C2C=NN(C2=NC=N1)CInChIKey: KOTSAGHCUMHESG-UHFFFAOYSA-NInChI: InChI=1S/C7H9N5/c1-8-6-5-3-11-12(2)7(5)10-4-9-6/h3-4H,1-2H3,(H,8,9,10)
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5，7-Dimethylpyrazolo[1，5-a]pyrimidineIUPAC Name: 5,7-dimethylpyrazolo[1,5-a]pyrimidineSMILES: CC1=CC(=NC2=CC=NN12)CInChIKey: LBWVNVFQCVTMMH-UHFFFAOYSA-NInChI: InChI=1S/C8H9N3/c1-6-5-7(2)11-8(10-6)3-4-9-11/h3-5H,1-2H3
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5，7-Dimethylpyrazolo[1，5-a]pyrimidine-3-carbonitrileCas Number: 43024-16-4 Compound CID: 2819029Formula: C9H8N4 Molecular Weight: 172.19IUPAC Name: 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrileSMILES: CC1=CC(=NC2=C(C=NN12)C#N)CInChIKey: KKTGTASECSGJJD-UHFFFAOYSA-NInChI: InChI=1S/C9H8N4/c1-6-3-7(2)13-9(12-6)8(4-10)5-11-13/h3,5H,1-2H3
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5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic AcidCas Number: 90349-23-8 Compound CID: 744038Formula: C9H9N3O2 Molecular Weight: 191.19IUPAC Name: 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acidSMILES: CC1=CC(=NC2=C(C=NN12)C(=O)O)CInChIKey: UWWGTDIBDPROEH-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3O2/c1-5-3-6(2)12-8(11-5)7(4-10-12)9(13)14/h3-4H,1-2H3,(H,13,14)
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5-Methylpyrazolo[1，5-a]pyrimidin-7-olCas Number: 16082-26-1Formula: C7H7N3O Molecular Weight: 149.15IUPAC Name: 5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-oneSMILES: CC1=CC(=O)N2C(=N1)C=CN2InChIKey: SYPDOBOILKZQJY-UHFFFAOYSA-NInChI: InChI=1S/C7H7N3O/c1-5-4-7(11)10-6(9-5)2-3-8-10/h2-4,8H,1H3
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tert-Butyl pyrazolo[1，5-a]pyrimidin-2-ylcarbamateCas Number: 1394003-94-1 Compound CID: 71742957Formula: C11H14N4O2 Molecular Weight: 234.25IUPAC Name: tert-butyl N-pyrazolo[1,5-a]pyrimidin-2-ylcarbamateSMILES: CC(C)(C)OC(=O)NC1=NN2C=CC=NC2=C1InChIKey: JHESLHSAPMWRQO-UHFFFAOYSA-NInChI: InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)13-8-7-9-12-5-4-6-15(9)14-8/h4-7H,1-3H3,(H,13,14,16)
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Pyrazolo[1，5-a]pyrimidin-7(4H)-oneCas Number: 29274-23-5 Compound CID: 335418Formula: C7H4BrN3O3 Molecular Weight: 258.04IUPAC Name: 1H-pyrazolo[1,5-a]pyrimidin-7-oneSMILES: C1=CNN2C1=NC=CC2=OInChIKey: BUEFDJQUUGMUJO-UHFFFAOYSA-NInChI: InChI=1S/C6H5N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,8H
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7-Aminopyrazolo[1,5-a]pyrimidine-6-carbonitrileCas Number: 89975-57-5 Compound CID: 2807616Formula: C7H5N5 Molecular Weight: 159.15IUPAC Name: 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrileSMILES: C1=C2N=CC(=C(N2N=C1)N)C#NInChIKey: XBKLUCYMMSKAEI-UHFFFAOYSA-NInChI: InChI=1S/C7H5N5/c8-3-5-4-10-6-1-2-11-12(6)7(5)9/h1-2,4H,9H2
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7-Aminopyrazolo[1，5-a]pyrimidine-3，6-dicarbonitrileCas Number: 119270-27-8 Compound CID: 722521Formula: C8H4N6 Molecular Weight: 184.16IUPAC Name: 7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrileSMILES: C1=NC2=C(C=NN2C(=C1C#N)N)C#NInChIKey: NXEKAPRNZKNMOD-UHFFFAOYSA-NInChI: InChI=1S/C8H4N6/c9-1-5-3-12-8-6(2-10)4-13-14(8)7(5)11/h3-4H,11H2
