Chemical ID: 7164040

CCN(CC)C(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
Chemical ID:
7164040
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
InChi [?]:
InChI=1/C13H18F3N3O/c1-3-18(4-2)12(20)8-19-10(9-5-6-9)7-11(17-19)13(14,15)16/h7,9H,3-6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,19,20,11,8,18,10,12,6,14,15,16,17,13,3,9,7/E:(1,2)(3,4)(5,6)(14,15,16)/rA:20nCCNCCCOCNCCCNCFFFCCC/rB:s1;s2;s3;s4;s3;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:8.251
Area:468.413
Solvation:-3.45932
Coulombic:-39.6896
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):1.84

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Descriptor Annotations

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