N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C104H101Cl2F9N20O11 — CID 159815352

About N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159815352) has the molecular formula C104H101Cl2F9N20O11 and a molecular weight of 2048.97 g/mol. Its IUPAC name is N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159815352
• Molecular Formula: C104H101Cl2F9N20O11
• Molecular Weight: 2048.97 g/mol
• Exact Mass: 2046.72
• IUPAC Name: N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1cccc(C2(NC(=O)c3cnn4cc(C)cnc34)CCOCC2)c1F.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)CCOCC3)cnn2c1.O=C(NC1(c2ccc(C(F)(F)F)cc2)CCOCC1)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(Cl)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(F)cc2Cl)CCOCC1)c1cnn2cc(C3CC3)cnc12
• InChI: InChI=1S/C22H21F3N4O2.2C21H20ClFN4O2.C20H19F3N4O2.C20H21FN4O3/c23-22(24,25)17-5-3-16(4-6-17)21(7-9-31-10-8-21)28-20(30)18-12-27-29-13-15(14-1-2-14)11-26-19(18)29;22-18-9-15(23)3-4-17(18)21(5-7-29-8-6-21)26-20(28)16-11-25-27-12-14(13-1-2-13)10-24-19(16)27;22-15-3-4-17(18(23)9-15)21(5-7-29-8-6-21)26-20(28)16-11-25-27-12-14(13-1-2-13)10-24-19(16)27;1-13-10-24-17-16(11-25-27(17)12-13)18(28)26-19(6-8-29-9-7-19)14-2-4-15(5-3-14)20(21,22)23;1-13-10-22-18-14(11-23-25(18)12-13)19(26)24-20(6-8-28-9-7-20)15-4-3-5-16(27-2)17(15)21/h3-6,11-14H,1-2,7-10H2,(H,28,30);2*3-4,9-13H,1-2,5-8H2,(H,26,28);2-5,10-12H,6-9H2,1H3,(H,26,28);3-5,10-12H,6-9H2,1-2H3,(H,24,26)
• InChIKey: NLNWTCYWAVEFSY-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 351.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.97
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159815352) is N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(C2(NC(=O)c3cnn4cc(C)cnc34)CCOCC2)c1F.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)CCOCC3)cnn2c1.O=C(NC1(c2ccc(C(F)(F)F)cc2)CCOCC1)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(Cl)cc2F)CCOCC1)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(F)cc2Cl)CCOCC1)c1cnn2cc(C3CC3)cnc12.

What is the InChIKey of N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NLNWTCYWAVEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2.2C21H20ClFN4O2.C20H19F3N4O2.C20H21FN4O3/c23-22(24,25)17-5-3-16(4-6-17)21(7-9-31-10-8-21)28-20(30)18-12-27-29-13-15(14-1-2-14)11-26-19(18)29;22-18-9-15(23)3-4-17(18)21(5-7-29-8-6-21)26-20(28)16-11-25-27-12-14(13-1-2-13)10-24-19(16)27;22-15-3-4-17(18(23)9-15)21(5-7-29-8-6-21)26-20(28)16-11-25-27-12-14(13-1-2-13)10-24-19(16)27;1-13-10-24-17-16(11-25-27(17)12-13)18(28)26-19(6-8-29-9-7-19)14-2-4-15(5-3-14)20(21,22)23;1-13-10-22-18-14(11-23-25(18)12-13)19(26)24-20(6-8-28-9-7-20)15-4-3-5-16(27-2)17(15)21/h3-6,11-14H,1-2,7-10H2,(H,28,30);2*3-4,9-13H,1-2,5-8H2,(H,26,28);2-5,10-12H,6-9H2,1H3,(H,26,28);3-5,10-12H,6-9H2,1-2H3,(H,24,26).

What are the key properties of N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2048.97 g/mol, XLogP of 17.84, 19 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-chloro-4-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-(2-fluoro-3-methoxyphenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159815352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).