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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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4-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acidCas Number: 879770-33-9 Compound CID: 3156991Formula: C11H10N2O2 Molecular Weight: 202.213IUPAC Name: 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acidSMILES: CC1=C(NN=C1C2=CC=CC=C2)C(=O)OInChIKey: SGRSFFPRUYGFGN-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)12-13-10(7)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15) -
4-Chloro-3-methyl-1H-pyrazole-5-carboxylic acidCas Number: 29400-84-8 Compound CID: 17688981Formula: C5H5ClN2O2 Molecular Weight: 160.56IUPAC Name: 4-chloro-5-methyl-1H-pyrazole-3-carboxylic acidSMILES: CC1=C(C(=NN1)C(=O)O)ClInChIKey: FWSYEYQXPSSQMV-UHFFFAOYSA-NInChI: InChI=1S/C5H5ClN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)
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3-Bromo-4-(1-Pyrazolyl)benzaldehydeCas Number: 1186663-53-5 Compound CID: 53393405Formula: C10H7BrN2O Molecular Weight: 251.08IUPAC Name: 3-bromo-4-pyrazol-1-ylbenzaldehydeSMILES: C1=CN(N=C1)C2=C(C=C(C=C2)C=O)BrInChIKey: FMIRAGCHJMGIFJ-UHFFFAOYSA-NInChI: InChI=1S/C10H7BrN2O/c11-9-6-8(7-14)2-3-10(9)13-5-1-4-12-13/h1-7H
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3-Bromo-4-methyl-1H-pyrazole-5-carboxylic acidCas Number: 929554-40-5 Compound CID: 21724017Formula: C5H5BrN2O2 Molecular Weight: 205.01IUPAC Name: 5-bromo-4-methyl-1H-pyrazole-3-carboxylic acidSMILES: CC1=C(NN=C1C(=O)O)BrInChIKey: CUBJTYQPUOFEIA-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrN2O2/c1-2-3(5(9)10)7-8-4(2)6/h1H3,(H,7,8)(H,9,10)
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3-(Methoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acidCas Number: 117860-55-6 Compound CID: 14266055Formula: C7H8N2O4 Molecular Weight: 184.15IUPAC Name: 5-methoxycarbonyl-2-methylpyrazole-3-carboxylic acidSMILES: CN1C(=CC(=N1)C(=O)OC)C(=O)OInChIKey: JXXJEKYENYTLSX-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O4/c1-9-5(6(10)11)3-4(8-9)7(12)13-2/h3H,1-2H3,(H,10,11)
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3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amineCas Number: 227623-26-9 Compound CID: 11139395Formula: C14H19N3O Molecular Weight: 245.32IUPAC Name: 5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-amineSMILES: CC(C)(C)C1=NN(C(=C1)N)C2=CC=C(C=C2)OCInChIKey: BUNGLKKPGWGZDC-UHFFFAOYSA-NInChI: InChI=1S/C14H19N3O/c1-14(2,3)12-9-13(15)17(16-12)10-5-7-11(18-4)8-6-10/h5-9H,15H2,1-4H3
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3-(Trifluoromethyl)-1，4，6，7-tetrahydropyrano[4，3-c]pyrazoleCas Number: 1022931-45-8 Compound CID: 50992796Formula: C7H7F3N2O Molecular Weight: 192.14IUPAC Name: 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazoleSMILES: C1COCC2=C1NN=C2C(F)(F)FInChIKey: AWSUGGOWOZTHGT-UHFFFAOYSA-NInChI: InChI=1S/C7H7F3N2O/c8-7(9,10)6-4-3-13-2-1-5(4)11-12-6/h1-3H2,(H,11,12)
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3-(4-(Chloromethyl)phenyl)-1-methyl-1H-pyrazoleCas Number: 916766-83-1 Compound CID: 24229472Formula: C11H11ClN2 Molecular Weight: 206.67IUPAC Name: 3-[4-(chloromethyl)phenyl]-1-methylpyrazoleSMILES: CN1C=CC(=N1)C2=CC=C(C=C2)CClInChIKey: YLJMPTWMRVXTQQ-UHFFFAOYSA-NInChI: InChI=1S/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3
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3-(3，5-Dimethyl-1H-pyrazol-1-yl)benzaldehydeCas Number: 956352-08-2 Compound CID: 3159634Formula: C12H12N2O Molecular Weight: 200.24IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)benzaldehydeSMILES: CC1=CC(=NN1C2=CC=CC(=C2)C=O)CInChIKey: UAFUKSXYBLMCCQ-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O/c1-9-6-10(2)14(13-9)12-5-3-4-11(7-12)8-15/h3-8H,1-2H3
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3-(4-Chlorophenyl)-1H-pyrazol-4-amineCas Number: 91857-91-9 Compound CID: 13303421Formula: C9H8ClN3 Molecular Weight: 193.63IUPAC Name: 5-(4-chlorophenyl)-1H-pyrazol-4-amineSMILES: C1=CC(=CC=C1C2=C(C=NN2)N)ClInChIKey: LFSLUVMNIIJPQB-UHFFFAOYSA-NInChI: InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2,(H,12,13)
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3-(4-(Trifluoromethyl)phenyl)-1H-pyrazol-5-amineCas Number: 130599-34-7 Compound CID: 15728961Formula: C10H8F3N3 Molecular Weight: 227.19IUPAC Name: 5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amineSMILES: C1=CC(=CC=C1C2=CC(=NN2)N)C(F)(F)FInChIKey: HZZRLYJWBJHZHU-UHFFFAOYSA-NInChI: InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)
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3-(4-Ethoxyphenyl)-1H-pyrazole-4-carbaldehydeCas Number: 879996-58-4 Compound CID: 6484102Formula: C12H12N2O2 Molecular Weight: 216.24IUPAC Name: 5-(4-ethoxyphenyl)-1H-pyrazole-4-carbaldehydeSMILES: CCOC1=CC=C(C=C1)C2=C(C=NN2)C=OInChIKey: WPJPLQDIKYABKY-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2/c1-2-16-11-5-3-9(4-6-11)12-10(8-15)7-13-14-12/h3-8H,2H2,1H3,(H,13,14)
