2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid

C122H102F10N36O32 — CID 159096945

About 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid

2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid (PubChem CID 159096945) has the molecular formula C122H102F10N36O32 and a molecular weight of 2774.36 g/mol. Its IUPAC name is 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid
• PubChem CID: 159096945
• Molecular Formula: C122H102F10N36O32
• Molecular Weight: 2774.36 g/mol
• Exact Mass: 2772.73
• IUPAC Name: 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid
• SMILES: COC(=O)c1cc(C)n2nc(C(=O)OC)cc2n1.COC(=O)c1cc(N)n[nH]1.COC(=O)c1cc([N+](=O)[O-])[nH]n1.COC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C)n2n1.COC(=O)c1cc2nc(C(=O)O)cc(C)n2n1.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(=O)NCc3ccc(F)c(F)c3)nn12.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(=O)Nc3ccccc3)nn12.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(=O)O)nn12.Cc1cc(C(=O)O)nc2cc(C(=O)O)nn12.O=C(O)c1cc([N+](=O)[O-])[nH]n1
• InChI: InChI=1S/C23H17F4N5O2.C22H17F2N5O2.C17H14F2N4O3.C16H12F2N4O3.C11H11N3O4.C10H9N3O4.C9H7N3O4.C5H5N3O4.C5H7N3O2.C4H3N3O4/c1-12-6-19(22(33)28-10-13-2-4-15(24)17(26)7-13)30-21-9-20(31-32(12)21)23(34)29-11-14-3-5-16(25)18(27)8-14;1-13-9-18(21(30)25-12-14-7-8-16(23)17(24)10-14)27-20-11-19(28-29(13)20)22(31)26-15-5-3-2-4-6-15;1-9-5-13(21-15-7-14(17(25)26-2)22-23(9)15)16(24)20-8-10-3-4-11(18)12(19)6-10;1-8-4-12(20-14-6-13(16(24)25)21-22(8)14)15(23)19-7-9-2-3-10(17)11(18)5-9;1-6-4-7(10(15)17-2)12-9-5-8(11(16)18-3)13-14(6)9;1-5-3-6(9(14)15)11-8-4-7(10(16)17-2)12-13(5)8;1-4-2-5(8(13)14)10-7-3-6(9(15)16)11-12(4)7;1-12-5(9)3-2-4(7-6-3)8(10)11;1-10-5(9)3-2-4(6)8-7-3;8-4(9)2-1-3(6-5-2)7(10)11/h2-9H,10-11H2,1H3,(H,28,33)(H,29,34);2-11H,12H2,1H3,(H,25,30)(H,26,31);3-7H,8H2,1-2H3,(H,20,24);2-6H,7H2,1H3,(H,19,23)(H,24,25);4-5H,1-3H3;3-4H,1-2H3,(H,14,15);2-3H,1H3,(H,13,14)(H,15,16);2H,1H3,(H,6,7);2H,1H3,(H3,6,7,8);1H,(H,5,6)(H,8,9)
• InChIKey: KCUDLNBDSWCRRC-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 928.57 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 52
• Rotatable Bonds: 30
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2774.36
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid?

The IUPAC name of 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid (CID 159096945) is 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid.

What is the SMILES notation for 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid?

The canonical SMILES for 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid is COC(=O)c1cc(C)n2nc(C(=O)OC)cc2n1.COC(=O)c1cc(N)n[nH]1.COC(=O)c1cc([N+](=O)[O-])[nH]n1.COC(=O)c1cc2nc(C(=O)NCc3ccc(F)c(F)c3)cc(C)n2n1.COC(=O)c1cc2nc(C(=O)O)cc(C)n2n1.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(=O)NCc3ccc(F)c(F)c3)nn12.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(=O)Nc3ccccc3)nn12.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2cc(C(=O)O)nn12.Cc1cc(C(=O)O)nc2cc(C(=O)O)nn12.O=C(O)c1cc([N+](=O)[O-])[nH]n1.

What is the InChIKey of 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid?

The InChIKey is KCUDLNBDSWCRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O2.C22H17F2N5O2.C17H14F2N4O3.C16H12F2N4O3.C11H11N3O4.C10H9N3O4.C9H7N3O4.C5H5N3O4.C5H7N3O2.C4H3N3O4/c1-12-6-19(22(33)28-10-13-2-4-15(24)17(26)7-13)30-21-9-20(31-32(12)21)23(34)29-11-14-3-5-16(25)18(27)8-14;1-13-9-18(21(30)25-12-14-7-8-16(23)17(24)10-14)27-20-11-19(28-29(13)20)22(31)26-15-5-3-2-4-6-15;1-9-5-13(21-15-7-14(17(25)26-2)22-23(9)15)16(24)20-8-10-3-4-11(18)12(19)6-10;1-8-4-12(20-14-6-13(16(24)25)21-22(8)14)15(23)19-7-9-2-3-10(17)11(18)5-9;1-6-4-7(10(15)17-2)12-9-5-8(11(16)18-3)13-14(6)9;1-5-3-6(9(14)15)11-8-4-7(10(16)17-2)12-13(5)8;1-4-2-5(8(13)14)10-7-3-6(9(15)16)11-12(4)7;1-12-5(9)3-2-4(7-6-3)8(10)11;1-10-5(9)3-2-4(6)8-7-3;8-4(9)2-1-3(6-5-2)7(10)11/h2-9H,10-11H2,1H3,(H,28,33)(H,29,34);2-11H,12H2,1H3,(H,25,30)(H,26,31);3-7H,8H2,1-2H3,(H,20,24);2-6H,7H2,1H3,(H,19,23)(H,24,25);4-5H,1-3H3;3-4H,1-2H3,(H,14,15);2-3H,1H3,(H,13,14)(H,15,16);2H,1H3,(H,6,7);2H,1H3,(H3,6,7,8);1H,(H,5,6)(H,8,9).

What are the key properties of 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid?

2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid has a molecular weight of 2774.36 g/mol, XLogP of 12.40, 30 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,5-N-bis[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid;5-N-[(3,4-difluorophenyl)methyl]-7-methyl-2-N-phenylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxamide;dimethyl 7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylate;2-methoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;methyl 3-amino-1H-pyrazole-5-carboxylate;methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate;methyl 5-nitro-1H-pyrazole-3-carboxylate;7-methylpyrazolo[1,5-a]pyrimidine-2,5-dicarboxylic acid;5-nitro-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 159096945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).