Chemical ID: 7211119

Cn1c(c(c(n1)C(=O)NC2CC[NH+](CC2)C)Cl)C(F)(F)F
Chemical ID:
7211119
Name [?]:
4-chloro-1-methyl-N-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC2CC[NH+](CC2)C)Cl)C(F)(F)F
InChi [?]:
InChI=1/C12H16ClF3N4O/c1-19-5-3-7(4-6-19)17-11(21)9-8(13)10(12(14,15)16)20(2)18-9/h7H,3-6H2,1-2H3,(H,17,21)/p+1
InChi Info:
AuxInfo=1/1/N:16,1,11,15,12,14,10,4,5,3,7,18,17,19,20,21,9,6,13,2,8/E:(3,4)(5,6)(14,15,16)/rA:21nCNCCCNCONCCCN+CCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;s4;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17ClF3N4O+
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-21.7566
Area:474.094
Solvation:-33.609
Coulombic:-15.2861
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.738
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.79
LogP (Chemaxon):0.14

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