Chemical ID: 7212178

CC[NH+]1CCN(CC1)C(=O)C(C)n2c(c(c(n2)C(F)(F)F)Cl)C
Chemical ID:
7212178
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)-propan-1-one
SMILES [?]:
CC[NH+]1CCN(CC1)C(=O)C(C)n2c(c(c(n2)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C14H20ClF3N4O/c1-4-20-5-7-21(8-6-20)13(23)10(3)22-9(2)11(15)12(19-22)14(16,17)18/h10H,4-8H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,23,12,2,4,8,5,7,14,11,15,16,9,18,22,19,20,21,17,3,6,13,10/E:(5,6)(7,8)(16,17,18)/rA:23cCCN+CCNCCCOCCNCCCNCFFFClC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s11;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClF3N4O+
All Atoms:44
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-22.4209
Area:515.514
Solvation:-35.3087
Coulombic:-7.56053
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.791
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.12
LogP (Chemaxon):1.99

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