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Chemical ID: 7212643
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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