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Pyrazoles
Description:
Compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
Ancestors:
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DifenzoquatCas Number: 49866-87-7 Compound CID: 39425Formula: C17H17N2 Molecular Weight: 249.33IUPAC Name: 1,2-dimethyl-3,5-diphenylpyrazol-1-iumSMILES: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3InChIKey: LBGPXIPGGRQBJW-UHFFFAOYSA-NInChI: InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1 -
5-tert-Butyl 7-ethyl 6，7-dihydro-1H-pyrazolo[4，3-c]pyridine-5，7(4H)-dicarboxylateCas Number: 1000994-24-0 Compound CID: 59430425Formula: C14H21N3O4 Molecular Weight: 295.33IUPAC Name: 5-O-tert-butyl 7-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5,7-dicarboxylateSMILES: CCOC(=O)C1CN(CC2=C1NN=C2)C(=O)OC(C)(C)CInChIKey: NDPZNTWXVIAYLR-UHFFFAOYSA-NInChI: InChI=1S/C14H21N3O4/c1-5-20-12(18)10-8-17(13(19)21-14(2,3)4)7-9-6-15-16-11(9)10/h6,10H,5,7-8H2,1-4H3,(H,15,16)
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5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehydeCas Number: 1188037-01-5Formula: C17H13BrN2O2 Molecular Weight: 357.2013SMILES: COC1=CC=C(C=C1)C2=NN(C(=C2C=O)Br)C3=CC=CC=C3InChIKey: OEMWMRNELHHBMB-UHFFFAOYSA-NInChI: InChI=1S/C17H13BrN2O2/c1-22-14-9-7-12(8-10-14)16-15(11-21)17(18)20(19-16)13-5-3-2-4-6-13/h2-11H,1H3
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1H-Pyrazole-5-carboxylic acid， 3-amino-1-methyl-， ethyl esterCas Number: 89088-57-3 Compound CID: 13248994IUPAC Name: ethyl 5-amino-2-methylpyrazole-3-carboxylateSMILES: CCOC(=O)C1=CC(=NN1C)NInChIKey: AVAANYHFUXNOPC-UHFFFAOYSA-NInChI: InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3,(H2,8,9)
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1H-Pyrazol-4-amine， 5-methyl-1-phenyl-Cas Number: 103095-52-9 Compound CID: 23088362Formula: C10H11N3 Molecular Weight: 173.21IUPAC Name: 5-methyl-1-phenylpyrazol-4-amineSMILES: CC1=C(C=NN1C2=CC=CC=C2)NInChIKey: WKNBWNUOHCWCAJ-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3/c1-8-10(11)7-12-13(8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
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1H-Pyrazole-1-carboxylic acid， 3-borono-， 1-(1，1-dimethylethyl) esterCas Number: 1162261-97-3Formula: C8H13BN2O4 Molecular Weight: 212.0108SMILES: B(C1=NN(C=C1)C(=O)OC(C)(C)C)(O)OInChIKey: WYFZWYIHBPVOPY-UHFFFAOYSA-NInChI: InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-5-4-6(10-11)9(13)14/h4-5,13-14H,1-3H3
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(1，3，5-Trimethyl-1H-pyrazol-4-yl)methanolCas Number: 18712-39-5 Compound CID: 7172184Formula: C7H12N2O Molecular Weight: 140.18IUPAC Name: (1,3,5-trimethylpyrazol-4-yl)methanolSMILES: CC1=C(C(=NN1C)C)COInChIKey: CIZQKYSGJAQKTI-UHFFFAOYSA-NInChI: InChI=1S/C7H12N2O/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3Synonyms: (trimethyl-1H-pyrazol-4-yl)methanol | (1,3,5-trimethylpyrazol-4-yl)methanol
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4-Methoxy-2-(1H-pyrazol-1-YL)phenyl]boronic acidCas Number: 1287753-34-7Formula: C10H11BN2O3 Molecular Weight: 218.02IUPAC Name: (4-methoxy-2-pyrazol-1-ylphenyl)boronic acidSMILES: B(C1=C(C=C(C=C1)OC)N2C=CC=N2)(O)OInChIKey: HNIWENQDOKNTLY-UHFFFAOYSA-NInChI: InChI=1S/C10H11BN2O3/c1-16-8-3-4-9(11(14)15)10(7-8)13-6-2-5-12-13/h2-7,14-15H,1H3
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3-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]phenolCas Number: 833481-69-9 Compound CID: 24905143Formula: C14H15N5O Molecular Weight: 269.3IUPAC Name: 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenolSMILES: CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC(=CC=C3)O)NInChIKey: MWYBBCLGEHZSCP-UHFFFAOYSA-NInChI: InChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9/h3-8,20H,1-2H3,(H2,15,16,17)Synonyms: Phenol, 3-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]- | 3-[4-Amino-1-(1-Methylethyl)-1h-Pyrazolo[3,...
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N-Methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamineCas Number: 868552-05-0 Compound CID: 7131170Formula: C11H14ClN3 Molecular Weight: 223.71IUPAC Name: N-methyl-1-(1-phenylpyrazol-4-yl)methanamineSMILES: CNCC1=CN(N=C1)C2=CC=CC=C2InChIKey: SZXULAAYIBSASF-UHFFFAOYSA-NInChI: InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3
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Fipronil sulfoneCas Number: 120068-36-2 Compound CID: 3078139Formula: C12H4Cl2F6N4O2S Molecular Weight: 453.15IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrileSMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)FInChIKey: LGHZJDKSVUTELU-UHFFFAOYSA-NInChI: InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2
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Ethyl 4-amino-1H-pyrazole-3-carboxylateCas Number: 55904-61-5Formula: C6H9N3O2 Molecular Weight: 155.15IUPAC Name: ethyl 4-amino-1H-pyrazole-5-carboxylateSMILES: CCOC(=O)C1=C(C=NN1)NInChIKey: JLIFAQGFWIYWDA-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2,7H2,1H3,(H,8,9)
