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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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1-Isopropyl-1H-pyrazole-3-carboxylic acidCas Number: 942631-65-4 Compound CID: 19619885Formula: C7H10N2O2 Molecular Weight: 154.17IUPAC Name: 1-propan-2-ylpyrazole-3-carboxylic acidSMILES: CC(C)N1C=CC(=N1)C(=O)OInChIKey: NZOZNIDXTXBUDN-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O2/c1-5(2)9-4-3-6(8-9)7(10)11/h3-5H,1-2H3,(H,10,11) -
1-Methyl-1H-pyrazol-4-amine dihydrochlorideFormula: C4H9Cl2N3 Molecular Weight: 170.04IUPAC Name: 1-methylpyrazol-4-amine;dihydrochlorideSMILES: CN1C=C(C=N1)N.Cl.ClInChIKey: HEFHQCFTJGKPMD-UHFFFAOYSA-NInChI: InChI=1S/C4H7N3.2ClH/c1-7-3-4(5)2-6-7;;/h2-3H,5H2,1H3;2*1H
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1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chlorideCas Number: 129768-24-7 Compound CID: 14770607Formula: C6H4ClF3N2O Molecular Weight: 212.56IUPAC Name: 2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl chlorideSMILES: CN1C(=CC(=N1)C(F)(F)F)C(=O)ClInChIKey: PLGFQFMBCLCVRB-UHFFFAOYSA-NInChI: InChI=1S/C6H4ClF3N2O/c1-12-3(5(7)13)2-4(11-12)6(8,9)10/h2H,1H3
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1-Isobutyl-1H-pyrazoleCas Number: 725746-81-6 Compound CID: 18769393Formula: C7H12N2 Molecular Weight: 124.18IUPAC Name: 1-(2-methylpropyl)pyrazoleSMILES: CC(C)CN1C=CC=N1InChIKey: HGZORUNWJQFEJI-UHFFFAOYSA-NInChI: InChI=1S/C7H12N2/c1-7(2)6-9-5-3-4-8-9/h3-5,7H,6H2,1-2H3
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1-(o-Tolyl)-1H-pyrazoleCas Number: 20157-44-2 Compound CID: 13066327Formula: C10H10N2 Molecular Weight: 158.2IUPAC Name: 1-(2-methylphenyl)pyrazoleSMILES: CC1=CC=CC=C1N2C=CC=N2InChIKey: FBJOICPYOFJUBH-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2/c1-9-5-2-3-6-10(9)12-8-4-7-11-12/h2-8H,1H3
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1-(tert-Butyl)-3-cyclopropyl-1H-pyrazol-5-amineIUPAC Name: 2-tert-butyl-5-cyclopropylpyrazol-3-amineSMILES: CC(C)(C)N1C(=CC(=N1)C2CC2)NInChIKey: OTJPHLDPFRTLNZ-UHFFFAOYSA-NInChI: InChI=1S/C10H17N3/c1-10(2,3)13-9(11)6-8(12-13)7-4-5-7/h6-7H,4-5,11H2,1-3H3
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1-(tert-Butyl)-1H-pyrazole-4-carbonitrileIUPAC Name: 1-tert-butylpyrazole-4-carbonitrileSMILES: CC(C)(C)N1C=C(C=N1)C#NInChIKey: MPAMGIZXDRTXEW-UHFFFAOYSA-NInChI: InChI=1S/C8H11N3/c1-8(2,3)11-6-7(4-9)5-10-11/h5-6H,1-3H3
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1-(PROP-2-YN-1-YL)-1H-PYRAZOLECas Number: 20306-74-5 Compound CID: 11768523Formula: C6H6N2 Molecular Weight: 106.13IUPAC Name: 1-prop-2-ynylpyrazoleSMILES: C#CCN1C=CC=N1InChIKey: IQMAASXLMDIWRF-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2/c1-2-5-8-6-3-4-7-8/h1,3-4,6H,5H2
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1-(4-Fluorophenyl)-1H-pyrazole-4-boronic acidCas Number: 1072945-89-1 Compound CID: 46738684Formula: C9H8BFN2O2 Molecular Weight: 205.98IUPAC Name: [1-(4-fluorophenyl)pyrazol-4-yl]boronic acidSMILES: B(C1=CN(N=C1)C2=CC=C(C=C2)F)(O)OInChIKey: RKNFXJIPDALCBH-UHFFFAOYSA-NInChI: InChI=1S/C9H8BFN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
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1-(4-Tolyl)-1H-pyrazole-4-boronic acidCas Number: 1072945-92-6 Compound CID: 46738688Formula: C10H11BN2O2 Molecular Weight: 202.02IUPAC Name: [1-(4-methylphenyl)pyrazol-4-yl]boronic acidSMILES: B(C1=CN(N=C1)C2=CC=C(C=C2)C)(O)OInChIKey: KQNRHNWJXQJCRY-UHFFFAOYSA-NInChI: InChI=1S/C10H11BN2O2/c1-8-2-4-10(5-3-8)13-7-9(6-12-13)11(14)15/h2-7,14-15H,1H3
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1-(4-Fluorophenyl)-5-phenyl-1H-pyrazoleCas Number: 299162-83-7 Compound CID: 34178984Formula: C15H11FN2 Molecular Weight: 238.26IUPAC Name: 1-(4-fluorophenyl)-5-phenylpyrazoleSMILES: C1=CC=C(C=C1)C2=CC=NN2C3=CC=C(C=C3)FInChIKey: GGFYIYBQOJNNLW-UHFFFAOYSA-NInChI: InChI=1S/C15H11FN2/c16-13-6-8-14(9-7-13)18-15(10-11-17-18)12-4-2-1-3-5-12/h1-11H
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1-(4-Chlorophenyl)-1H-pyrazoleCas Number: 25419-86-7 Compound CID: 12238132Formula: C9H7ClN2 Molecular Weight: 178.62IUPAC Name: 1-(4-chlorophenyl)pyrazoleSMILES: C1=CN(N=C1)C2=CC=C(C=C2)ClInChIKey: CLGKHQCZJWOXGO-UHFFFAOYSA-NInChI: InChI=1S/C9H7ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
