3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine

C72H82Br5ClF3N21O6 — CID 157334628

About 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine

3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine (PubChem CID 157334628) has the molecular formula C72H82Br5ClF3N21O6 and a molecular weight of 1829.56 g/mol. Its IUPAC name is 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine.

Molecular Properties

• Compound Name: 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine
• PubChem CID: 157334628
• Molecular Formula: C72H82Br5ClF3N21O6
• Molecular Weight: 1829.56 g/mol
• Exact Mass: 1823.23
• IUPAC Name: 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine
• SMILES: CCOC(=O)CC(C)=O.Cc1[nH]nc(N)c1Br.Cc1cc(=O)n2[nH]c(C)c(Br)c2n1.Cc1cc(Cl)n2nc(C)c(Br)c2n1.Cc1cc(N(Cc2ccc(F)cc2)C(=O)OC(C)(C)C)n2nc(C)c(Br)c2n1.Cc1cc(N)n[nH]1.Cc1cc(NCc2ccc(F)cc2)n2nc(C)c(Br)c2n1.NCc1ccc(F)cc1
• InChI: InChI=1S/C20H22BrFN4O2.C15H14BrFN4.C8H7BrClN3.C8H8BrN3O.C7H8FN.C6H10O3.C4H6BrN3.C4H7N3/c1-12-10-16(26-18(23-12)17(21)13(2)24-26)25(19(27)28-20(3,4)5)11-14-6-8-15(22)9-7-14;1-9-7-13(18-8-11-3-5-12(17)6-4-11)21-15(19-9)14(16)10(2)20-21;1-4-3-6(10)13-8(11-4)7(9)5(2)12-13;1-4-3-6(13)12-8(10-4)7(9)5(2)11-12;8-7-3-1-6(5-9)2-4-7;1-3-9-6(8)4-5(2)7;1-2-3(5)4(6)8-7-2;1-3-2-4(5)7-6-3/h6-10H,11H2,1-5H3;3-7,18H,8H2,1-2H3;3H,1-2H3;3,11H,1-2H3;1-4H,5,9H2;3-4H2,1-2H3;1H3,(H3,6,7,8);2H,1H3,(H3,5,6,7)
• InChIKey: SYGJFOJXYCFASH-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 361.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.56
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine?

The IUPAC name of 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine (CID 157334628) is 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine.

What is the SMILES notation for 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine?

The canonical SMILES for 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine is CCOC(=O)CC(C)=O.Cc1[nH]nc(N)c1Br.Cc1cc(=O)n2[nH]c(C)c(Br)c2n1.Cc1cc(Cl)n2nc(C)c(Br)c2n1.Cc1cc(N(Cc2ccc(F)cc2)C(=O)OC(C)(C)C)n2nc(C)c(Br)c2n1.Cc1cc(N)n[nH]1.Cc1cc(NCc2ccc(F)cc2)n2nc(C)c(Br)c2n1.NCc1ccc(F)cc1.

What is the InChIKey of 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine?

The InChIKey is SYGJFOJXYCFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN4O2.C15H14BrFN4.C8H7BrClN3.C8H8BrN3O.C7H8FN.C6H10O3.C4H6BrN3.C4H7N3/c1-12-10-16(26-18(23-12)17(21)13(2)24-26)25(19(27)28-20(3,4)5)11-14-6-8-15(22)9-7-14;1-9-7-13(18-8-11-3-5-12(17)6-4-11)21-15(19-9)14(16)10(2)20-21;1-4-3-6(10)13-8(11-4)7(9)5(2)12-13;1-4-3-6(13)12-8(10-4)7(9)5(2)11-12;8-7-3-1-6(5-9)2-4-7;1-3-9-6(8)4-5(2)7;1-2-3(5)4(6)8-7-2;1-3-2-4(5)7-6-3/h6-10H,11H2,1-5H3;3-7,18H,8H2,1-2H3;3H,1-2H3;3,11H,1-2H3;1-4H,5,9H2;3-4H2,1-2H3;1H3,(H3,6,7,8);2H,1H3,(H3,5,6,7).

What are the key properties of 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine?

3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine has a molecular weight of 1829.56 g/mol, XLogP of 16.39, 10 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine;3-bromo-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-bromo-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;4-bromo-5-methyl-1H-pyrazol-3-amine;tert-butyl N-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(4-fluorophenyl)methyl]carbamate;ethyl 3-oxobutanoate;(4-fluorophenyl)methanamine;5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 157334628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).