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Chemical ID: 7155620
Chemical ID:
7155620
Name [?]:
N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1cc(nn1C(C)C(=O)NN2CCN(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)
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:22cCCCCNNCCCONNCCNCCCCFFF/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: | C13H20F3N5O |
All Atoms: | 42 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.31466 |
Area: | 495.009 |
Solvation: | -5.06056 |
Coulombic: | -46.4596 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.8 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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