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Chemical ID: 7189414
Chemical ID:
7189414
Name [?]:
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanehydrazide
SMILES [?]:
Cc1cc(nn1CC(C)C(=O)NN)C(F)(F)F
InChi [?]:
InChI=1/C9H13F3N4O/c1-5(8(17)14-13)4-16-6(2)3-7(15-16)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:9,1,3,7,8,2,4,10,14,15,16,17,13,12,5,6,11/E:(10,11,12)/rA:17cCCCCNNCCCCONNCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;d10;s10;s12;s4;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13F3N4O |
All Atoms: | 30 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.31788 |
Area: | 402.545 |
Solvation: | -3.74575 |
Coulombic: | -49.4605 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 250.221 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.3 |
LogP (Chemaxon): | 1.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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