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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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phenylbutazone CalciumIUPAC Name: calcium;4-butyl-5-oxo-1,2-diphenylpyrazol-3-olateSMILES: CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Ca+2]InChIKey: XMVFRSAMWBGRNR-UHFFFAOYSA-LInChI: InChI=1S/2C19H20N2O2.Ca/c2*1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h2*4-13,22H,2-3,14H2,1H3;/q;;+2/p-2 -
PyraclostrobinCas Number: 175013-18-0 Compound CID: 6422843Formula: C19H18ClN3O4 Molecular Weight: 387.82IUPAC Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamateSMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OCInChIKey: HZRSNVGNWUDEFX-UHFFFAOYSA-NInChI: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
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Potassium 1H-pyrazole-4-trifluoroborateCas Number: 1111732-81-0 Compound CID: 25212875Formula: C3H3BF3KN2 Molecular Weight: 173.98IUPAC Name: potassium;trifluoro(1H-pyrazol-4-yl)boranuideSMILES: [B-](C1=CNN=C1)(F)(F)F.[K+]InChIKey: IKWKPYJRTNMJDL-UHFFFAOYSA-NInChI: InChI=1S/C3H3BF3N2.K/c5-4(6,7)3-1-8-9-2-3;/h1-2H,(H,8,9);/q-1;+1
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N-(1，5-Dimethyl-3-oxo-2-phenyl-2，3-dihydro-1H-pyrazol-4-yl)formamideFormula: C12H13N3O2 Molecular Weight: 231.25IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamideSMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=OInChIKey: WSJBSKRPKADYRQ-UHFFFAOYSA-NInChI: InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
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Ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylateCas Number: 27241-29-8Formula: C12H12N2O3 Molecular Weight: 232.24SMILES: CCOC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2InChIKey: DCCIFKZACWAKSD-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-8,13H,2H2,1H3
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5-(5-Methylfuran-2-yl)-1H-pyrazole-3-carboxylic acidCas Number: 879442-52-1 Compound CID: 651228Formula: C9H8N2O3IUPAC Name: 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acidSMILES: CC1=CC=C(O1)C2=CC(=NN2)C(=O)OInChIKey: GOUUZIMECSCUHZ-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O3/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
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1-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-olCas Number: 122431-38-3Formula: C10H6ClF3N2O Molecular Weight: 262.6156496SMILES: C1=CC(=CC=C1N2C(=O)C=C(N2)C(F)(F)F)ClInChIKey: RJAVFPJSNYFSKY-UHFFFAOYSA-NInChI: InChI=1S/C10H6ClF3N2O/c11-6-1-3-7(4-2-6)16-9(17)5-8(15-16)10(12,13)14/h1-5,15H
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1-(Difluoromethyl)-1H-pyrazol-4-amine hydrochlorideCas Number: 1221726-31-3 Compound CID: 47002394Formula: C4H5N3F2•HCl Molecular Weight: 169.56IUPAC Name: 1-(difluoromethyl)pyrazol-4-amine;hydrochlorideSMILES: C1=C(C=NN1C(F)F)N.ClInChIKey: VFTVLJWWKQMKJK-UHFFFAOYSA-NInChI: InChI=1S/C4H5F2N3.ClH/c5-4(6)9-2-3(7)1-8-9;/h1-2,4H,7H2;1H
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ethyl 1H，4H，5H，7H-pyrano[3，4-c]pyrazole-3-carboxylateCas Number: 1630096-71-7 Compound CID: 78265149Formula: C9H12N2O3 Molecular Weight: 196.21IUPAC Name: ethyl 1,4,5,7-tetrahydropyrano[3,4-c]pyrazole-3-carboxylateSMILES: CCOC(=O)C1=NNC2=C1CCOC2InChIKey: HIOXBJUAJSRZGE-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O3/c1-2-14-9(12)8-6-3-4-13-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
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PyraclostrobinCas Number: 175013-18-0 Compound CID: 6422843Formula: C19H18ClN3O4 Molecular Weight: 387.82IUPAC Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamateSMILES: COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OCInChIKey: HZRSNVGNWUDEFX-UHFFFAOYSA-NInChI: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
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MELK-T1Cas Number: 1610586-62-3 Compound CID: 73442760IUPAC Name: 2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamideSMILES: COC1=C(C=CC(=C1)C2=CNN=C2)C(=O)NC3=CC4=C(CCNCC4)C=C3InChIKey: GMZCYCKIXQZORP-UHFFFAOYSA-NInChI: InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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Ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylateCas Number: 1199590-80-1 Compound CID: 44558860Formula: C14H16N2O3 Molecular Weight: 260.28IUPAC Name: ethyl 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylateSMILES: CCOC(=O)C1=CN(N=C1)CC2=CC=C(C=C2)OCInChIKey: KMKGIDHKTPDZRT-UHFFFAOYSA-NInChI: InChI=1S/C14H16N2O3/c1-3-19-14(17)12-8-15-16(10-12)9-11-4-6-13(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3
