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Chemical ID: 7197286
Chemical ID:
7197286
Name [?]:
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILES [?]:
c1c(n(nc1C(F)(F)F)CCC(=O)NN)C2CC2
InChi [?]:
InChI=1/C10H13F3N4O/c11-10(12,13)8-5-7(6-1-2-6)17(16-8)4-3-9(18)15-14/h5-6H,1-4,14H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:17,18,11,10,1,16,2,5,12,6,7,8,9,15,14,4,3,13/E:(1,2)(11,12,13)/rA:18nCCNNCCFFFCCCONNCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;s11;d12;s12;s14;s2;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13F3N4O |
All Atoms: | 31 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97072 |
Area: | 432.796 |
Solvation: | -3.84917 |
Coulombic: | -49.2002 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 262.232 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.21 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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