N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C64H52Cl2F9N15O5 — CID 159291984

About N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159291984) has the molecular formula C64H52Cl2F9N15O5 and a molecular weight of 1353.11 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159291984
• Molecular Formula: C64H52Cl2F9N15O5
• Molecular Weight: 1353.11 g/mol
• Exact Mass: 1351.35
• IUPAC Name: N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12.Cc1cc(=O)n2[nH]c(-c3ccc(Cl)cc3)cc2n1.O=C(NN1CCCCC1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1
• InChI: InChI=1S/C19H19F2N5O.C18H16F4N4O.C14H7ClF3N3O2.C13H10ClN3O/c20-17(21)16-11-15(13-7-3-1-4-8-13)23-18-14(12-22-26(16)18)19(27)24-25-9-5-2-6-10-25;1-3-10(2)24-17(27)13-9-23-26-15(18(20,21)22)8-14(25-16(13)26)11-4-6-12(19)7-5-11;15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)21-12(19-9)6-10(20-21)13(22)23;1-8-6-13(18)17-12(15-8)7-11(16-17)9-2-4-10(14)5-3-9/h1,3-4,7-8,11-12,17H,2,5-6,9-10H2,(H,24,27);4-10H,3H2,1-2H3,(H,24,27);1-6H,(H,22,23);2-7,16H,1H3
• InChIKey: DLACWDKSDYMJOA-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 239.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.11
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159291984) is N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12.Cc1cc(=O)n2[nH]c(-c3ccc(Cl)cc3)cc2n1.O=C(NN1CCCCC1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1.

What is the InChIKey of N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DLACWDKSDYMJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O.C18H16F4N4O.C14H7ClF3N3O2.C13H10ClN3O/c20-17(21)16-11-15(13-7-3-1-4-8-13)23-18-14(12-22-26(16)18)19(27)24-25-9-5-2-6-10-25;1-3-10(2)24-17(27)13-9-23-26-15(18(20,21)22)8-14(25-16(13)26)11-4-6-12(19)7-5-11;15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)21-12(19-9)6-10(20-21)13(22)23;1-8-6-13(18)17-12(15-8)7-11(16-17)9-2-4-10(14)5-3-9/h1,3-4,7-8,11-12,17H,2,5-6,9-10H2,(H,24,27);4-10H,3H2,1-2H3,(H,24,27);1-6H,(H,22,23);2-7,16H,1H3.

What are the key properties of N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1353.11 g/mol, XLogP of 13.97, 11 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(4-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;7-(difluoromethyl)-5-phenyl-N-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159291984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).