Chemical ID: 7155570

c1c(n(nc1C(F)(F)F)CC(=O)NCCCn2cc(cn2)Br)C3CC3
Chemical ID:
7155570
Name [?]:
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-acetamide
SMILES [?]:
c1c(n(nc1C(F)(F)F)CC(=O)NCCCn2cc(cn2)Br)C3CC3
InChi [?]:
InChI=1/C15H17BrF3N5O/c16-11-7-21-23(8-11)5-1-4-20-14(25)9-24-12(10-2-3-10)6-13(22-24)15(17,18)19/h6-8,10H,1-5,9H2,(H,20,25)
InChi Info:
AuxInfo=1/1/N:15,24,25,14,16,1,20,18,10,23,19,2,5,11,6,22,7,8,9,13,21,4,17,3,12/E:(2,3)(17,18,19)/rA:25nCCNNCCFFFCCONCCCNCCCNBrCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;s17d20;s19;s2;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17BrF3N5O
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.81966
Area:583.382
Solvation:-4.76489
Coulombic:-47.3057
Bond Count [?]
All:27
Single:22
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.228
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.52
LogP (Chemaxon):1.89

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