Chemical ID: 7211590

Cc1cc(nn1C(C)C(=O)NN2CC[NH+](CC2)C)C(F)(F)F
Chemical ID:
7211590
Name [?]:
N-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1cc(nn1C(C)C(=O)NN2CC[NH+](CC2)C)C(F)(F)F
InChi [?]:
InChI=1/C13H20F3N5O/c1-9-8-11(13(14,15)16)17-21(9)10(2)12(22)18-20-6-4-19(3)5-7-20/h8,10H,4-7H2,1-3H3,(H,18,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,8,18,14,16,13,17,3,2,7,4,9,19,20,21,22,5,11,15,12,6,10/E:(4,5)(6,7)(14,15,16)/rA:22cCCCCNNCCCONNCCN+CCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21F3N5O+
All Atoms:43
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-23.405
Area:495.574
Solvation:-35.7943
Coulombic:-11.2435
Bond Count [?]
All:23
Single:20
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.334
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.8
LogP (Chemaxon):0.75

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