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Chemical ID: 7189358
Chemical ID:
7189358
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NN)C(F)(F)F)Cl
InChi [?]:
InChI=1/C8H10ClF3N4O/c1-3-5(9)6(8(10,11)12)15-16(3)4(2)7(17)14-13/h4H,13H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,8,2,7,3,4,9,13,17,14,15,16,12,11,5,6,10/E:(10,11,12)/rA:17cCCCCNNCCCONNCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s4;s13;s13;s13;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10ClF3N4O |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.07659 |
Area: | 406.579 |
Solvation: | -4.08789 |
Coulombic: | -50.0554 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.639 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.92 |
LogP (Chemaxon): | 1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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