Chemical ID: 7155399

Cc1c(c(nn1C(C)C(=O)NC2CC2)C(F)(F)F)Br
Chemical ID:
7155399
Name [?]:
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopropyl-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC2CC2)C(F)(F)F)Br
InChi [?]:
InChI=1/C11H13BrF3N3O/c1-5-8(12)9(11(13,14)15)17-18(5)6(2)10(19)16-7-3-4-7/h6-7H,3-4H2,1-2H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,8,13,14,2,7,12,3,4,9,15,19,16,17,18,11,5,6,10/E:(3,4)(13,14,15)/rA:19cCCCCNNCCCONCCCCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12s13;s4;s15;s15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13BrF3N3O
All Atoms:32
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.9427
Area:450.79
Solvation:-3.32705
Coulombic:-43.9756
Bond Count [?]
All:20
Single:17
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.14
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.63
LogP (Chemaxon):2.27

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