Home Carboxys ethyl 5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

CAS No.:
827591-57-1
Catalog Number:
AG00JEKY
Molecular Formula:
C13H16F3N3O2
Molecular Weight:
303.2802
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Product Description
Catalog Number:
AG00JEKY
Chemical Name:
ethyl 5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CAS Number:
827591-57-1
Molecular Formula:
C13H16F3N3O2
Molecular Weight:
303.2802
MDL Number:
MFCD04969197
IUPAC Name:
ethyl 5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C13H16F3N3O2/c1-2-21-12(20)8-6-17-19-10(13(14,15)16)5-9(7-3-4-7)18-11(8)19/h6-7,9-10,18H,2-5H2,1H3
InChI Key:
YMQLVZHHLOBRQO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1NC(CC2C(F)(F)F)C1CC1
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.119g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.285g/mol
Monoisotopic Mass:
303.119g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties