Chemical ID: 7154354

CCN(CC)C(=O)Cn1c(c(c(n1)C(F)(F)F)Cl)C2CC2
Chemical ID:
7154354
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)Cn1c(c(c(n1)C(F)(F)F)Cl)C2CC2
InChi [?]:
InChI=1/C13H17ClF3N3O/c1-3-19(4-2)9(21)7-20-11(8-5-6-8)10(14)12(18-20)13(15,16)17/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,20,21,8,19,6,11,10,12,14,18,15,16,17,13,3,9,7/E:(1,2)(3,4)(5,6)(15,16,17)/rA:21nCCNCCCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;s9d12;s12;s14;s14;s14;s11;s10;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClF3N3O
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.98205
Area:482.738
Solvation:-3.0864
Coulombic:-40.3236
Bond Count [?]
All:22
Single:19
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:323.742
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.58
LogP (Chemaxon):2.36

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