Chemical ID: 7212643

Cc1c(c(nn1C(C)C(=O)NC2CC[NH+](CC2)C)C(F)(F)F)Cl
Chemical ID:
7212643
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC2CC[NH+](CC2)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H20ClF3N4O/c1-8-11(15)12(14(16,17)18)20-22(8)9(2)13(23)19-10-4-6-21(3)7-5-10/h9-10H,4-7H2,1-3H3,(H,19,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,8,18,13,17,14,16,2,7,12,3,4,9,19,23,20,21,22,11,5,15,6,10/E:(4,5)(6,7)(16,17,18)/rA:23cCCCCNNCCCONCCCN+CCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;s4;s19;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClF3N4O+
All Atoms:44
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-21.3146
Area:522.033
Solvation:-34.3654
Coulombic:-13.9771
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.791
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.31
LogP (Chemaxon):1.57

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Descriptor Annotations

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