3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine

C131H154Br2Cl5FN34O10S — CID 158916003

About 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine

3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine (PubChem CID 158916003) has the molecular formula C131H154Br2Cl5FN34O10S and a molecular weight of 2753.04 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine.

Molecular Properties

• Compound Name: 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine
• PubChem CID: 158916003
• Molecular Formula: C131H154Br2Cl5FN34O10S
• Molecular Weight: 2753.04 g/mol
• Exact Mass: 2746.91
• IUPAC Name: 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine
• SMILES: C1CCNCC1.CCc1cc(N)n[nH]1.CCc1cc2n(n1)C(=O)CC(=O)C2.CCc1cc2n(n1)C(Cl)=CC(Cl)N2.CCc1cc2nc(Cl)ccn2n1.CCc1nn2ccc(Cl)nc2c1Br.CCc1nn2ccc(N3CCCCC3)nc2c1Br.CCc1nn2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1N.CCc1nn2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1N=C(c1ccccc1)c1ccccc1.COC(=O)CC(=O)OC.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.[H]N=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H34N6O2.C17H26N6O2.C13H17BrN4.C13H11N.C10H4ClFN2S.C9H10N2O2.C8H7BrClN3.C8H9Cl2N3.C8H8ClN3.C5H9N3.C5H11N.C5H8O4/c1-5-24-27(32-26(22-12-8-6-9-13-22)23-14-10-7-11-15-23)28-31-25(16-17-36(28)33-24)34-18-20-35(21-19-34)29(37)38-30(2,3)4;1-5-12-14(18)15-19-13(6-7-23(15)20-12)21-8-10-22(11-9-21)16(24)25-17(2,3)4;1-2-10-12(14)13-15-11(6-9-18(13)16-10)17-7-4-3-5-8-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;1-2-6-3-7-4-8(12)5-9(13)11(7)10-6;1-2-5-7(9)8-11-6(10)3-4-13(8)12-5;1-2-5-3-8-11-6(9)4-7(10)13(8)12-5;1-2-6-5-8-10-7(9)3-4-12(8)11-6;1-2-4-3-5(6)8-7-4;1-2-4-6-5-3-1;1-8-4(6)3-5(7)9-2/h6-17H,5,18-21H2,1-4H3;6-7H,5,8-11,18H2,1-4H3;6,9H,2-5,7-8H2,1H3;1-10,14H;1-4H;3H,2,4-5H2,1H3;3-4H,2H2,1H3;3-4,6,11H,2H2,1H3;3-5H,2H2,1H3;3H,2H2,1H3,(H3,6,7,8);6H,1-5H2;3H2,1-2H3
• InChIKey: JHFTUUPNQSJVQU-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 519.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 19
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2753.04
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine?

The IUPAC name of 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine (CID 158916003) is 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine.

What is the SMILES notation for 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine?

The canonical SMILES for 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine is C1CCNCC1.CCc1cc(N)n[nH]1.CCc1cc2n(n1)C(=O)CC(=O)C2.CCc1cc2n(n1)C(Cl)=CC(Cl)N2.CCc1cc2nc(Cl)ccn2n1.CCc1nn2ccc(Cl)nc2c1Br.CCc1nn2ccc(N3CCCCC3)nc2c1Br.CCc1nn2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1N.CCc1nn2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1N=C(c1ccccc1)c1ccccc1.COC(=O)CC(=O)OC.N#Cc1sc(Cl)nc1-c1ccc(F)cc1.[H]N=C(c1ccccc1)c1ccccc1.

What is the InChIKey of 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine?

The InChIKey is JHFTUUPNQSJVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2.C17H26N6O2.C13H17BrN4.C13H11N.C10H4ClFN2S.C9H10N2O2.C8H7BrClN3.C8H9Cl2N3.C8H8ClN3.C5H9N3.C5H11N.C5H8O4/c1-5-24-27(32-26(22-12-8-6-9-13-22)23-14-10-7-11-15-23)28-31-25(16-17-36(28)33-24)34-18-20-35(21-19-34)29(37)38-30(2,3)4;1-5-12-14(18)15-19-13(6-7-23(15)20-12)21-8-10-22(11-9-21)16(24)25-17(2,3)4;1-2-10-12(14)13-15-11(6-9-18(13)16-10)17-7-4-3-5-8-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-10-14-9(8(5-13)15-10)6-1-3-7(12)4-2-6;1-2-6-3-7-4-8(12)5-9(13)11(7)10-6;1-2-5-7(9)8-11-6(10)3-4-13(8)12-5;1-2-5-3-8-11-6(9)4-7(10)13(8)12-5;1-2-6-5-8-10-7(9)3-4-12(8)11-6;1-2-4-3-5(6)8-7-4;1-2-4-6-5-3-1;1-8-4(6)3-5(7)9-2/h6-17H,5,18-21H2,1-4H3;6-7H,5,8-11,18H2,1-4H3;6,9H,2-5,7-8H2,1H3;1-10,14H;1-4H;3H,2,4-5H2,1H3;3-4H,2H2,1H3;3-4,6,11H,2H2,1H3;3-5H,2H2,1H3;3H,2H2,1H3,(H3,6,7,8);6H,1-5H2;3H2,1-2H3.

What are the key properties of 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine?

3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine has a molecular weight of 2753.04 g/mol, XLogP of 25.83, 19 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;3-bromo-2-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine;tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate;tert-butyl 4-[3-(benzhydrylideneamino)-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;5-chloro-2-ethylpyrazolo[1,5-a]pyrimidine;2-chloro-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;5,7-dichloro-2-ethyl-4,5-dihydropyrazolo[1,5-a]pyrimidine;dimethyl propanedioate;diphenylmethanimine;5-ethyl-1H-pyrazol-3-amine;2-ethyl-4H-pyrazolo[1,5-a]pyridine-5,7-dione;piperidine is sourced from PubChem (CID 158916003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).