Chemical ID: 7158560

Cc1c(c(nn1C(C)C(=O)NCCCN2CCCC2=O)C(F)(F)F)Br
Chemical ID:
7158560
Name [?]:
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NCCCN2CCCC2=O)C(F)(F)F)Br
InChi [?]:
InChI=1/C15H20BrF3N4O2/c1-9-12(16)13(15(17,18)19)21-23(9)10(2)14(25)20-6-4-8-22-7-3-5-11(22)24/h10H,3-8H2,1-2H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,8,17,13,18,12,16,14,2,7,19,3,4,9,21,25,22,23,24,11,5,15,6,20,10/E:(17,18,19)/rA:25cCCCCNNCCCONCCCNCCCCOCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s16;s17;s15s18;d19;s4;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20BrF3N4O2
All Atoms:45
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.50418
Area:574.152
Solvation:-4.84962
Coulombic:-58.7379
Bond Count [?]
All:26
Single:22
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:425.244
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):1.35

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