Chemical ID: 6300944

CCCNC(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
Chemical ID:
6300944
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propyl-acetamide
SMILES [?]:
CCCNC(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
InChi [?]:
InChI=1/C12H16F3N3O/c1-2-5-16-11(19)7-18-9(8-3-4-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,3,10,7,17,9,11,5,13,14,15,16,4,12,8,6/E:(3,4)(13,14,15)/rA:19nCCCNCOCNCCCNCFFFCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;s8d11;s11;s13;s13;s13;s9;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16F3N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.017
Area:459.655
Solvation:-3.47436
Coulombic:-44.4186
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:275.27
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.84
LogP (Chemaxon):1.72

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