6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C85H81F13N18O12 — CID 158884448

About 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158884448) has the molecular formula C85H81F13N18O12 and a molecular weight of 1793.67 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 158884448
• Molecular Formula: C85H81F13N18O12
• Molecular Weight: 1793.67 g/mol
• Exact Mass: 1792.61
• IUPAC Name: 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)nc4)CCOCC3O)cnn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)CC1(c2ccc(C(F)(F)F)nc2)CCOCC1O.O=C(NC1(c2ccc(C(F)(F)F)cc2F)CCOCC1O)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(C(F)(F)F)nc2)CCOCC1O)c1cnn2cc(C3CC3)cnc12
• InChI: InChI=1S/C23H23F3N4O3.C22H20F4N4O3.C21H20F3N5O3.C19H18F3N5O3/c1-13-20(21-28-9-15(14-2-3-14)11-30(21)29-13)17(31)8-22(6-7-33-12-19(22)32)16-4-5-18(27-10-16)23(24,25)26;23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30;22-21(23,24)16-4-3-14(8-25-16)20(5-6-32-11-17(20)30)28-19(31)15-9-27-29-10-13(12-1-2-12)7-26-18(15)29;1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)12-2-3-14(23-7-12)19(20,21)22/h4-5,9-11,14,19,32H,2-3,6-8,12H2,1H3;3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32);3-4,7-10,12,17,30H,1-2,5-6,11H2,(H,28,31);2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29)
• InChIKey: JDLAVPDGHSDOOY-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 381.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.67
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158884448) is 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)nc4)CCOCC3O)cnn2c1.Cc1nn2cc(C3CC3)cnc2c1C(=O)CC1(c2ccc(C(F)(F)F)nc2)CCOCC1O.O=C(NC1(c2ccc(C(F)(F)F)cc2F)CCOCC1O)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(C(F)(F)F)nc2)CCOCC1O)c1cnn2cc(C3CC3)cnc12.

What is the InChIKey of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JDLAVPDGHSDOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3.C22H20F4N4O3.C21H20F3N5O3.C19H18F3N5O3/c1-13-20(21-28-9-15(14-2-3-14)11-30(21)29-13)17(31)8-22(6-7-33-12-19(22)32)16-4-5-18(27-10-16)23(24,25)26;23-17-7-14(22(24,25)26)3-4-16(17)21(5-6-33-11-18(21)31)29-20(32)15-9-28-30-10-13(12-1-2-12)8-27-19(15)30;22-21(23,24)16-4-3-14(8-25-16)20(5-6-32-11-17(20)30)28-19(31)15-9-27-29-10-13(12-1-2-12)7-26-18(15)29;1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)12-2-3-14(23-7-12)19(20,21)22/h4-5,9-11,14,19,32H,2-3,6-8,12H2,1H3;3-4,7-10,12,18,31H,1-2,5-6,11H2,(H,29,32);3-4,7-10,12,17,30H,1-2,5-6,11H2,(H,28,31);2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29).

What are the key properties of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1793.67 g/mol, XLogP of 11.08, 16 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158884448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).