Chemical ID: 7212681

CC(C)(C)NC(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
Chemical ID:
7212681
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
InChi [?]:
InChI=1/C13H18F3N3O/c1-12(2,3)17-11(20)7-19-9(8-4-5-8)6-10(18-19)13(14,15)16/h6,8H,4-5,7H2,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,20,11,8,18,10,12,6,2,14,15,16,17,5,13,9,7/E:(1,2,3)(4,5)(14,15,16)/rA:20nCCCCNCOCNCCCNCFFFCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18F3N3O
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.20881
Area:461.785
Solvation:-3.33583
Coulombic:-44.2081
Bond Count [?]
All:21
Single:18
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.297
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.35
LogP (Chemaxon):1.74

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