Chemical ID: 7157340

Cc1c(c(nn1C(C)C(=O)NC2CCN(CC2)C(C)C)C(F)(F)F)Br
Chemical ID:
7157340
Name [?]:
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-isopropyl-4-piperidyl)-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC2CCN(CC2)C(C)C)C(F)(F)F)Br
InChi [?]:
InChI=1/C16H24BrF3N4O/c1-9(2)23-7-5-12(6-8-23)21-15(25)11(4)24-10(3)13(17)14(22-24)16(18,19)20/h9,11-12H,5-8H2,1-4H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:19,20,1,8,13,17,14,16,18,2,7,12,3,4,9,21,25,22,23,24,11,5,15,6,10/E:(1,2)(5,6)(7,8)(18,19,20)/rA:25cCCCCNNCCCONCCCNCCCCCCFFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;s18;s18;s4;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24BrF3N4O
All Atoms:49
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.3353
Area:561.379
Solvation:-3.69918
Coulombic:-49.0419
Bond Count [?]
All:26
Single:23
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:425.287
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.37
LogP (Chemaxon):2.6

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