6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C100H81F19N18O12 — CID 158952885

IUPAC6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)CC3(c4ccc(C(F)(F)F)cc4F)CCOCC3=O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)COC3)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)COC3)cnn2c1.O=C(CC1(c2ccc(C(F)(F)F)cc2F)CCOCC1=O)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(C(F)(F)F)cc2F)COC1)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H19F4N3O3.C21H17F4N3O3.C20H16F4N4O2.C18H14F4N4O2.C18H15F3N4O2/c24-18-7-15(23(25,26)27)3-4-17(18)22(5-6-33-12-20(22)32)8-19(31)16-10-29-30-11-14(13-1-2-13)9-28-21(16)30;1-12-8-26-19-14(9-27-28(19)10-12)17(29)7-20(4-5-31-11-18(20)30)15-3-2-13(6-16(15)22)21(23,24)25;21-16-5-13(20(22,23)24)3-4-15(16)19(9-30-10-19)27-18(29)14-7-26-28-8-12(11-1-2-11)6-25-17(14)28;1-10-5-23-15-12(6-24-26(15)7-10)16(27)25-17(8-28-9-17)13-3-2-11(4-14(13)19)18(20,21)22;1-11-6-22-15-14(7-23-25(15)8-11)16(26)24-17(9-27-10-17)12-2-4-13(5-3-12)18(19,20)21/h3-4,7,9-11,13H,1-2,5-6,8,12H2;2-3,6,8-10H,4-5,7,11H2,1H3;3-8,11H,1-2,9-10H2,(H,27,29);2-7H,8-9H2,1H3,(H,25,27);2-8H,9-10H2,1H3,(H,24,26)
InChIKeyJLQOFKPMMOYQGE-UHFFFAOYSA-N
MW2087.82 g/mol
LogP16.94
Rot. Bonds19

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

6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158952885) has the molecular formula C100H81F19N18O12 and a molecular weight of 2087.82 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158952885
Molecular FormulaC100H81F19N18O12
Molecular Weight2087.82 g/mol
Exact Mass2086.60
IUPAC Name6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)CC3(c4ccc(C(F)(F)F)cc4F)CCOCC3=O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)COC3)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)COC3)cnn2c1.O=C(CC1(c2ccc(C(F)(F)F)cc2F)CCOCC1=O)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(C(F)(F)F)cc2F)COC1)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H19F4N3O3.C21H17F4N3O3.C20H16F4N4O2.C18H14F4N4O2.C18H15F3N4O2/c24-18-7-15(23(25,26)27)3-4-17(18)22(5-6-33-12-20(22)32)8-19(31)16-10-29-30-11-14(13-1-2-13)9-28-21(16)30;1-12-8-26-19-14(9-27-28(19)10-12)17(29)7-20(4-5-31-11-18(20)30)15-3-2-13(6-16(15)22)21(23,24)25;21-16-5-13(20(22,23)24)3-4-15(16)19(9-30-10-19)27-18(29)14-7-26-28-8-12(11-1-2-11)6-25-17(14)28;1-10-5-23-15-12(6-24-26(15)7-10)16(27)25-17(8-28-9-17)13-3-2-11(4-14(13)19)18(20,21)22;1-11-6-22-15-14(7-23-25(15)8-11)16(26)24-17(9-27-10-17)12-2-4-13(5-3-12)18(19,20)21/h3-4,7,9-11,13H,1-2,5-6,8,12H2;2-3,6,8-10H,4-5,7,11H2,1H3;3-8,11H,1-2,9-10H2,(H,27,29);2-7H,8-9H2,1H3,(H,25,27);2-8H,9-10H2,1H3,(H,24,26)
InChIKeyJLQOFKPMMOYQGE-UHFFFAOYSA-N
XLogP16.94
TPSA352.68 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002087.82
LogP ≤ 516.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158340421
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158445712
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158665724
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
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-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159063356
6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-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-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159136353
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159554646
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159825201
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160702920
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-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxy-4-methyloxolan-3-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 160761565
6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-[4-(trifluoromethyl)phenyl]oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,6-dimethyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161071764
6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-4-hydroxy-4-methyloxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161208693

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158952885) is 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)CC3(c4ccc(C(F)(F)F)cc4F)CCOCC3=O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)COC3)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4F)COC3)cnn2c1.O=C(CC1(c2ccc(C(F)(F)F)cc2F)CCOCC1=O)c1cnn2cc(C3CC3)cnc12.O=C(NC1(c2ccc(C(F)(F)F)cc2F)COC1)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JLQOFKPMMOYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O3.C21H17F4N3O3.C20H16F4N4O2.C18H14F4N4O2.C18H15F3N4O2/c24-18-7-15(23(25,26)27)3-4-17(18)22(5-6-33-12-20(22)32)8-19(31)16-10-29-30-11-14(13-1-2-13)9-28-21(16)30;1-12-8-26-19-14(9-27-28(19)10-12)17(29)7-20(4-5-31-11-18(20)30)15-3-2-13(6-16(15)22)21(23,24)25;21-16-5-13(20(22,23)24)3-4-15(16)19(9-30-10-19)27-18(29)14-7-26-28-8-12(11-1-2-11)6-25-17(14)28;1-10-5-23-15-12(6-24-26(15)7-10)16(27)25-17(8-28-9-17)13-3-2-11(4-14(13)19)18(20,21)22;1-11-6-22-15-14(7-23-25(15)8-11)16(26)24-17(9-27-10-17)12-2-4-13(5-3-12)18(19,20)21/h3-4,7,9-11,13H,1-2,5-6,8,12H2;2-3,6,8-10H,4-5,7,11H2,1H3;3-8,11H,1-2,9-10H2,(H,27,29);2-7H,8-9H2,1H3,(H,25,27);2-8H,9-10H2,1H3,(H,24,26).
What are the key properties of 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2087.82 g/mol, XLogP of 16.94, 19 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158952885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).