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Chemical ID: 7153394
Chemical ID:
7153394
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NN2CCOCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H16ClF3N4O2/c1-7-9(13)10(12(14,15)16)17-20(7)8(2)11(21)18-19-3-5-22-6-4-19/h8H,3-6H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,13,17,14,16,2,7,3,4,9,18,22,19,20,21,5,11,12,6,10,15/E:(3,4)(5,6)(14,15,16)/rA:22cCCCCNNCCCONNCCOCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClF3N4O2 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.78483 |
Area: | 496.504 |
Solvation: | -5.62777 |
Coulombic: | -50.317 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.729 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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