Chemical ID: 7157807

Cc1cc(nn1C(C)C(=O)NC(C)(C)C)C(F)(F)F
Chemical ID:
7157807
Name [?]:
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-tert-butyl-propanamide
SMILES [?]:
Cc1cc(nn1C(C)C(=O)NC(C)(C)C)C(F)(F)F
InChi [?]:
InChI=1/C12H18F3N3O/c1-7-6-9(12(13,14)15)17-18(7)8(2)10(19)16-11(3,4)5/h6,8H,1-5H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,8,13,14,15,3,2,7,4,9,12,16,17,18,19,11,5,6,10/E:(3,4,5)(13,14,15)/rA:19cCCCCNNCCCONCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12;s12;s4;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18F3N3O
All Atoms:37
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.70117
Area:444.1
Solvation:-3.40133
Coulombic:-44.1535
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.286
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.67
LogP (Chemaxon):1.91

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