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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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2-(1H-Pyrazol-1-yl)benzonitrileCas Number: 25775-03-5 Compound CID: 7164558Formula: C10H7N3 Molecular Weight: 169.18IUPAC Name: 2-pyrazol-1-ylbenzonitrileSMILES: C1=CC=C(C(=C1)C#N)N2C=CC=N2InChIKey: FMURBLXVPMFBMG-UHFFFAOYSA-NInChI: InChI=1S/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H -
2-(1，3，5-trimethyl-1H-pyrazol-4-yl)acetic acidCas Number: 70598-03-7 Compound CID: 16227249Formula: C8H12N2O2 Molecular Weight: 168.19IUPAC Name: 2-(1,3,5-trimethylpyrazol-4-yl)acetic acidSMILES: CC1=C(C(=NN1C)C)CC(=O)OInChIKey: CHXWPRZFNRRXAA-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2/c1-5-7(4-8(11)12)6(2)10(3)9-5/h4H2,1-3H3,(H,11,12)
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2-(1H-Pyrazol-3-Yl)Ethan-1-OlCas Number: 32385-74-3 EC Number: 825-012-0IUPAC Name: 2-(1H-pyrazol-5-yl)ethanolSMILES: C1=C(NN=C1)CCOInChIKey: BWDXTPHVKBEOKV-UHFFFAOYSA-NInChI: InChI=1S/C5H8N2O/c8-4-2-5-1-3-6-7-5/h1,3,8H,2,4H2,(H,6,7)
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2-(1H-Pyrazol-3-yl)acetic acid hydrochlorideCas Number: 118054-57-2 Compound CID: 13512450Formula: C5H6N2O2·HCl Molecular Weight: 162.57IUPAC Name: 2-(1H-pyrazol-5-yl)acetic acid;hydrochlorideSMILES: C1=C(NN=C1)CC(=O)O.ClInChIKey: FQUYXVPCCKSSLU-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O2.ClH/c8-5(9)3-4-1-2-6-7-4;/h1-2H,3H2,(H,6,7)(H,8,9);1H
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2-(1-(2-(4-Chlorophenyl)-5-methylpyrazolo[1，5-a]pyrimidin-7-yl)piperidin-2-yl)ethanolCas Number: 841253-81-4 Compound CID: 3229907Formula: C20H23ClN4O Molecular Weight: 370.88IUPAC Name: 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanolSMILES: CC1=NC2=CC(=NN2C(=C1)N3CCCCC3CCO)C4=CC=C(C=C4)ClInChIKey: TZWSGOPCLUTFBZ-UHFFFAOYSA-NInChI: InChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
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2-(1-methyl-1H-pyrazol-5-yl)acetonitrileCas Number: 1071814-43-1 Compound CID: 25248374Formula: C6H7N3 Molecular Weight: 121.14IUPAC Name: 2-(2-methylpyrazol-3-yl)acetonitrileSMILES: CN1C(=CC=N1)CC#NInChIKey: PYXBEBZQSMLHTC-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3/c1-9-6(2-4-7)3-5-8-9/h3,5H,2H2,1H3
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2-(1-Pyrazolyl)benzylamineCas Number: 449758-13-8 Compound CID: 7015036Formula: C10H11N3 Molecular Weight: 173.22IUPAC Name: (2-pyrazol-1-ylphenyl)methanamineSMILES: C1=CC=C(C(=C1)CN)N2C=CC=N2InChIKey: SJMJUZRSTJBVPG-UHFFFAOYSA-NInChI: InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2Synonyms: 1-[2-(1H-Pyrazol-1-yl)phenyl]methanamine | 2-(1H-Pyrazol-1-yl)benzylamine
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1，5-Dimethyl-1H-pyrazole-3-carbonitrileCas Number: 54384-71-3 Compound CID: 12211891Formula: C6H7N3 Molecular Weight: 121.14IUPAC Name: 1,5-dimethylpyrazole-3-carbonitrileSMILES: CC1=CC(=NN1C)C#NInChIKey: QJTFMFKUXJQSAO-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3/c1-5-3-6(4-7)8-9(5)2/h3H,1-2H3
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1，3-dimethyl-1H-pyrazol-4-aminehydrochlorideCas Number: 1147222-02-3 Compound CID: 12687197Formula: C5H10ClN3 Molecular Weight: 147.61IUPAC Name: 1,3-dimethylpyrazol-4-amine;hydrochlorideSMILES: CC1=NN(C=C1N)C.ClInChIKey: ZDOGXPGAEYKUJK-UHFFFAOYSA-NInChI: InChI=1S/C5H9N3.ClH/c1-4-5(6)3-8(2)7-4;/h3H,6H2,1-2H3;1H
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1，3，5-Trimethyl-1H-pyrazol-4-olCas Number: 89193-22-6 Compound CID: 12498505Formula: C6H10N2O Molecular Weight: 126.16IUPAC Name: 1,3,5-trimethylpyrazol-4-olSMILES: CC1=C(C(=NN1C)C)OInChIKey: HAJMFBQNIMHGFE-UHFFFAOYSA-NInChI: InChI=1S/C6H10N2O/c1-4-6(9)5(2)8(3)7-4/h9H,1-3H3
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1，4-Dimethyl-3-phenyl-1H-pyrazol-5-amineCas Number: 30830-04-7 Compound CID: 4737033Formula: C11H13N3 Molecular Weight: 187.24IUPAC Name: 2,4-dimethyl-5-phenylpyrazol-3-amineSMILES: CC1=C(N(N=C1C2=CC=CC=C2)C)NInChIKey: BZJUAPFLXLAQDN-UHFFFAOYSA-NInChI: InChI=1S/C11H13N3/c1-8-10(13-14(2)11(8)12)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
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1H-Pyrazole-3-carboxylicacid， 5-[4-(trifluoromethyl)phenyl]-， ethyl esterCas Number: 639784-60-4 Compound CID: 45790237IUPAC Name: ethyl 3-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylateSMILES: CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C(F)(F)FInChIKey: UFCMHAIKTZLMJW-UHFFFAOYSA-NInChI: InChI=1S/C13H11F3N2O2/c1-2-20-12(19)11-7-10(17-18-11)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3,(H,17,18)
