Chemical ID: 7209323

C1CC1c2c(c(nn2CC(=O)N3CCOCC3)C(F)(F)F)Cl
Chemical ID:
7209323
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholino-ethanone
SMILES [?]:
C1CC1c2c(c(nn2CC(=O)N3CCOCC3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C13H15ClF3N3O2/c14-10-11(8-1-2-8)20(18-12(10)13(15,16)17)7-9(21)19-3-5-22-6-4-19/h8H,1-7H2
InChi Info:
AuxInfo=1/0/N:1,2,13,17,14,16,9,3,10,5,4,6,18,22,19,20,21,7,12,8,11,15/E:(1,2)(3,4)(5,6)(15,16,17)/rA:22nCCCCCCNNCCONCCOCCCFFFCl/rB:s1;s1s2;s3;d4;s5;d6;s4s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s6;s18;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15ClF3N3O2
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.29466
Area:481.931
Solvation:-4.75361
Coulombic:-47.3787
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.725
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.34
LogP (Chemaxon):1.33

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