5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C57H51F7N16O5 — CID 163641423

About 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163641423) has the molecular formula C57H51F7N16O5 and a molecular weight of 1173.13 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 163641423
• Molecular Formula: C57H51F7N16O5
• Molecular Weight: 1173.13 g/mol
• Exact Mass: 1172.41
• IUPAC Name: 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(-c2ccc3ocnc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc(C(N)=O)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc(F)n2)nc2c(C(=O)N[C@H](C)C3CC3)cnn12
• InChI: InChI=1S/C20H16F3N5O2.C19H17F3N6O2.C18H18FN5O/c1-10-6-14(12-4-5-16-15(7-12)24-9-30-16)26-18-13(8-25-28(10)18)19(29)27-17(11-2-3-11)20(21,22)23;1-9-7-14(12-3-2-4-13(25-12)16(23)29)26-17-11(8-24-28(9)17)18(30)27-15(10-5-6-10)19(20,21)22;1-10-8-15(14-4-3-5-16(19)22-14)23-17-13(9-20-24(10)17)18(25)21-11(2)12-6-7-12/h4-9,11,17H,2-3H2,1H3,(H,27,29);2-4,7-8,10,15H,5-6H2,1H3,(H2,23,29)(H,27,30);3-5,8-9,11-12H,6-7H2,1-2H3,(H,21,25)/t;;11-/m..1/s1
• InChIKey: IEOVYOGOWUCMSK-HHXXUKSGSA-N
• XLogP: 8.95
• TPSA: 272.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.13
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163641423) is 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccc3ocnc3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc(C(N)=O)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc(F)n2)nc2c(C(=O)N[C@H](C)C3CC3)cnn12.

What is the InChIKey of 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IEOVYOGOWUCMSK-HHXXUKSGSA-N. The full InChI is InChI=1S/C20H16F3N5O2.C19H17F3N6O2.C18H18FN5O/c1-10-6-14(12-4-5-16-15(7-12)24-9-30-16)26-18-13(8-25-28(10)18)19(29)27-17(11-2-3-11)20(21,22)23;1-9-7-14(12-3-2-4-13(25-12)16(23)29)26-17-11(8-24-28(9)17)18(30)27-15(10-5-6-10)19(20,21)22;1-10-8-15(14-4-3-5-16(19)22-14)23-17-13(9-20-24(10)17)18(25)21-11(2)12-6-7-12/h4-9,11,17H,2-3H2,1H3,(H,27,29);2-4,7-8,10,15H,5-6H2,1H3,(H2,23,29)(H,27,30);3-5,8-9,11-12H,6-7H2,1-2H3,(H,21,25)/t;;11-/m..1/s1.

What are the key properties of 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1173.13 g/mol, XLogP of 8.95, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzoxazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-carbamoyl-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(6-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163641423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).