[Synonyms]
[Structure]
![(5R,7R)-N-[(1,,3-dimethylpyrazol-4-yl)methyl]-5-furan-2-yl-7-(trifluo](/file/upload/dataimg/117/1165878.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: (5R,7R)-N-[(1,
3-dimethylpyrazol-4-yl)methyl]-5-furan-2-yl-7-(trifluoromethyl)-4,5,6,
7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Canonical SMILES: CC1=NN(C=C1CNC(=O)C2=NN3C(CC(NC3=C2)C4=CC=CO4)C(F)(F)F)C
Isomeric SMILES: CC1=NN(C=C1CNC(=O)C2=NN3[C@H](C[C@@H](NC3=C2)C4=CC=CO4)C(F)(F)F)C
InChI: InChI=1/C18H19F3N6O2/c1-10-11(9-26(2)24-10)8-22-17(28)13-7-16-23-12(14-
4-3-5-29-14)6-15(18(19,20)21)27(16)25-13/h3-5,7,9,12,15,23H,6,8H2,1-2H3,
(H,22,28)/f/h22H
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 408.37767 [g/mol] |
| Molecular Formula | C18H19F3N6O2 |
| XLogP | 1.8 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 10 |
| Rotatable Bond Count | 4 |
| Tautomer Count | 6 |
| Exact Mass | 408.152158 |
| MonoIsotopic Mass | 408.152158 |
| Topological Polar Surface Area | 89.9 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 609 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 2 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: (5R,7R)-N-[(1,
3-dimethylpyrazol-4-yl)methyl]-5-furan-2-yl-7-(trifluoromethyl)-4,5,6,
7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Canonical SMILES: CC1=NN(C=C1CNC(=O)C2=NN3C(CC(NC3=C2)C4=CC=CO4)C(F)(F)F)C
Isomeric SMILES: CC1=NN(C=C1CNC(=O)C2=NN3[C@H](C[C@@H](NC3=C2)C4=CC=CO4)C(F)(F)F)C
InChI: InChI=1/C18H19F3N6O2/c1-10-11(9-26(2)24-10)8-22-17(28)13-7-16-23-12(14-
4-3-5-29-14)6-15(18(19,20)21)27(16)25-13/h3-5,7,9,12,15,23H,6,8H2,1-2H3,
(H,22,28)/f/h22H
