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

C84H78F16N18O12 — CID 158433336

IUPAC6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(O)COCCC1(NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(C(F)(F)F)cc1F.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)CCOCC3(C)O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3O)cnn2c1.O=C(NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H22F4N4O3.C21H19F4N5O3.C21H20F4N4O3.C19H17F4N5O3/c1-21(33)12-34-7-6-22(21,17-5-4-15(8-18(17)24)23(25,26)27)30-20(32)16-10-29-31-11-14(13-2-3-13)9-28-19(16)31;22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30;1-12-8-26-17-14(9-27-29(17)10-12)18(30)28-20(5-6-32-11-19(20,2)31)15-4-3-13(7-16(15)22)21(23,24)25;1-10-5-25-16-12(7-26-28(16)8-10)17(30)27-18(2-3-31-9-14(18)29)15-13(20)4-11(6-24-15)19(21,22)23/h4-5,8-11,13,33H,2-3,6-7,12H2,1H3,(H,30,32);5-9,11,16,31H,1-4,10H2,(H,29,32);3-4,7-10,31H,5-6,11H2,1-2H3,(H,28,30);4-8,14,29H,2-3,9H2,1H3,(H,27,30)
InChIKeyHBXRLSIHYXEPCS-UHFFFAOYSA-N
MW1835.63 g/mol
LogP11.12
Rot. Bonds14

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

6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158433336) has the molecular formula C84H78F16N18O12 and a molecular weight of 1835.63 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158433336
Molecular FormulaC84H78F16N18O12
Molecular Weight1835.63 g/mol
Exact Mass1834.58
IUPAC Name6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(O)COCCC1(NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(C(F)(F)F)cc1F.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)CCOCC3(C)O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3O)cnn2c1.O=C(NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H22F4N4O3.C21H19F4N5O3.C21H20F4N4O3.C19H17F4N5O3/c1-21(33)12-34-7-6-22(21,17-5-4-15(8-18(17)24)23(25,26)27)30-20(32)16-10-29-31-11-14(13-2-3-13)9-28-19(16)31;22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30;1-12-8-26-17-14(9-27-29(17)10-12)18(30)28-20(5-6-32-11-19(20,2)31)15-4-3-13(7-16(15)22)21(23,24)25;1-10-5-25-16-12(7-26-28(16)8-10)17(30)27-18(2-3-31-9-14(18)29)15-13(20)4-11(6-24-15)19(21,22)23/h4-5,8-11,13,33H,2-3,6-7,12H2,1H3,(H,30,32);5-9,11,16,31H,1-4,10H2,(H,29,32);3-4,7-10,31H,5-6,11H2,1-2H3,(H,28,30);4-8,14,29H,2-3,9H2,1H3,(H,27,30)
InChIKeyHBXRLSIHYXEPCS-UHFFFAOYSA-N
XLogP11.12
TPSA380.78 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.63
LogP ≤ 511.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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CID 126763810
US10023575, Example 57
CID 126763811
US10023575, Example 90a
CID 126763820
US10023575, Example 63
CID 126763829
US10023575, Example 91a
CID 126763833
US10875867, Example 90b
CID 135224311
US10875867, Example 91a
CID 135224338
US10875867, Example 90a
CID 156023207
US11691977, Example 90a
CID 168474831
US11691977, Example 90b
CID 168474832
US10875867, Example 91b
CID 156023209
US11691977, Example 91b
CID 168474833

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158433336) is 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-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-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(O)COCCC1(NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(C(F)(F)F)cc1F.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)CCOCC3(C)O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3O)cnn2c1.O=C(NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1O)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HBXRLSIHYXEPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O3.C21H19F4N5O3.C21H20F4N4O3.C19H17F4N5O3/c1-21(33)12-34-7-6-22(21,17-5-4-15(8-18(17)24)23(25,26)27)30-20(32)16-10-29-31-11-14(13-2-3-13)9-28-19(16)31;22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30;1-12-8-26-17-14(9-27-29(17)10-12)18(30)28-20(5-6-32-11-19(20,2)31)15-4-3-13(7-16(15)22)21(23,24)25;1-10-5-25-16-12(7-26-28(16)8-10)17(30)27-18(2-3-31-9-14(18)29)15-13(20)4-11(6-24-15)19(21,22)23/h4-5,8-11,13,33H,2-3,6-7,12H2,1H3,(H,30,32);5-9,11,16,31H,1-4,10H2,(H,29,32);3-4,7-10,31H,5-6,11H2,1-2H3,(H,28,30);4-8,14,29H,2-3,9H2,1H3,(H,27,30).
What are the key properties of 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1835.63 g/mol, XLogP of 11.12, 14 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxy-3-methyloxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158433336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).