Chemical ID: 7152963

CC(C(=O)NN1CCOCC1)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
Chemical ID:
7152963
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-propanamide
SMILES [?]:
CC(C(=O)NN1CCOCC1)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C14H18ClF3N4O2/c1-8(13(23)20-21-4-6-24-7-5-21)22-11(9-2-3-9)10(15)12(19-22)14(16,17)18/h8-9H,2-7H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,7,11,8,10,2,22,14,13,15,3,17,21,18,19,20,16,5,6,12,4,9/E:(2,3)(4,5)(6,7)(16,17,18)/rA:24cCCCONNCCOCCNCCCNCFFFClCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;s2;s12;d13;s14;s12d15;s15;s17;s17;s17;s14;s13;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18ClF3N4O2
All Atoms:42
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.62713
Area:525.518
Solvation:-5.51081
Coulombic:-50.8711
Bond Count [?]
All:26
Single:23
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.766
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.5
LogP (Chemaxon):1.49

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