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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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5,7-Dichloro-3-ethylpyrazolo[1,5-a]pyrimidineCas Number: 779353-64-9 Compound CID: 17750391Formula: C8H7Cl2N3 Molecular Weight: 216.07IUPAC Name: 5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidineSMILES: CCC1=C2N=C(C=C(N2N=C1)Cl)ClInChIKey: QFSOXHZZXZVMHY-UHFFFAOYSA-NInChI: InChI=1S/C8H7Cl2N3/c1-2-5-4-11-13-7(10)3-6(9)12-8(5)13/h3-4H,2H2,1H3 -
5,7-dichloro-3-isopropyl-pyrazolo[1,5-a]pyrimidineCas Number: 771510-32-8 Compound CID: 21065644Formula: C9H9Cl2N3 Molecular Weight: 230.09IUPAC Name: 5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidineSMILES: CC(C)C1=C2N=C(C=C(N2N=C1)Cl)ClInChIKey: VAAJGCDAYQIYPO-UHFFFAOYSA-NInChI: InChI=1S/C9H9Cl2N3/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14/h3-5H,1-2H3 -
4-chloro-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrileCas Number: 1004991-91-6 Compound CID: 71699945Formula: C6H2ClN5 Molecular Weight: 179.57IUPAC Name: 4-chloro-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrileSMILES: C1=NC2=NNC(=C2C(=N1)Cl)C#NInChIKey: HDQMAUCEIIBYOL-UHFFFAOYSA-NInChI: InChI=1S/C6H2ClN5/c7-5-4-3(1-8)11-12-6(4)10-2-9-5/h2H,(H,9,10,11,12) -
3-bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidineCas Number: 1240526-73-1 Compound CID: 47003144Formula: C6H4BrClN4 Molecular Weight: 247.48SMILES: CN1C2=C(C(=NC=N2)Cl)C(=N1)BrInChIKey: FVGVGUBKQFIPMD-UHFFFAOYSA-NInChI: InChI=1S/C6H4BrClN4/c1-12-6-3(4(7)11-12)5(8)9-2-10-6/h2H,1H3 -
3,5,7-trichloropyrazolo[1,5-a]pyrimidineCas Number: 58347-52-7 Compound CID: 12281651Formula: C6H2Cl3N3 Molecular Weight: 222.5IUPAC Name: 3,5,7-trichloropyrazolo[1,5-a]pyrimidineSMILES: C1=C(N2C(=C(C=N2)Cl)N=C1Cl)ClInChIKey: JVSMXTZZTBGQPE-UHFFFAOYSA-NInChI: InChI=1S/C6H2Cl3N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
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3,6-dibromopyrazolo[1,5-a]pyrimidineCas Number: 55405-68-0 Compound CID: 12203209Formula: C6H3Br2N3 Molecular Weight: 276.92IUPAC Name: 3,6-dibromopyrazolo[1,5-a]pyrimidineSMILES: C1=C(C=NC2=C(C=NN21)Br)BrInChIKey: UTYZRARNCOWBRK-UHFFFAOYSA-NInChI: InChI=1S/C6H3Br2N3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
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1H-pyrazolo[4,3-d]pyrimidin-7-amineCas Number: 13877-56-0 Compound CID: 96600Formula: C5H5N5 Molecular Weight: 135.13IUPAC Name: 1H-pyrazolo[4,3-d]pyrimidin-7-amineSMILES: C1=NNC2=C1N=CN=C2NInChIKey: MPDXYVOXVJOKIN-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10)(H2,6,7,8)
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tert-butyl N-benzyl-N-(5-chloro-3-isopropyl-pyrazolo[1,5-a]pyrimidin-7-yl)carbamateCas Number: 1092444-33-1 Compound CID: 49766038Formula: C21H25ClN4O2 Molecular Weight: 400.9SMILES: CC(C)C1=C2N=C(C=C(N2N=C1)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C)ClInChIKey: KCVVEIFZXCXRJG-UHFFFAOYSA-NInChI: InChI=1S/C21H25ClN4O2/c1-14(2)16-12-23-26-18(11-17(22)24-19(16)26)25(20(27)28-21(3,4)5)13-15-9-7-6-8-10-15/h6-12,14H,13H2,1-5H3
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pyrazolo[1,5-a]pyrimidin-6-olIUPAC Name: pyrazolo[1,5-a]pyrimidin-6-olSMILES: C1=C2N=CC(=CN2N=C1)OInChIKey: HRTWUWCOINVHEU-UHFFFAOYSA-NInChI: InChI=1S/C6H5N3O/c10-5-3-7-6-1-2-8-9(6)4-5/h1-4,10H
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ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylateCas Number: 90840-54-3 Compound CID: 15187836Formula: C10H11N3O2 Molecular Weight: 205.22IUPAC Name: ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylateSMILES: CCOC(=O)C1=C(N2C(=CC=N2)N=C1)CInChIKey: MMBKYLRFLOZGEC-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3O2/c1-3-15-10(14)8-6-11-9-4-5-12-13(9)7(8)2/h4-6H,3H2,1-2H3
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ethyl 7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylateCas Number: 136178-56-8 Compound CID: 16106422Formula: C9H9N3O3 Molecular Weight: 207.19IUPAC Name: ethyl 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylateSMILES: CCOC(=O)C1=CNN2C1=NC=CC2=OInChIKey: ZGCDOKYAYRHKOM-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-11-12-7(13)3-4-10-8(6)12/h3-5,11H,2H2,1H3
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Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylateCas Number: 1027511-41-6Formula: C9H8N3O2Br Molecular Weight: 270.08IUPAC Name: ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylateSMILES: CCOC(=O)c1cnn2cc(Br)cnc12InChIKey: PZZTXIWJXOMKEU-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3
