Chemical ID: 7189414

Cc1cc(nn1CC(C)C(=O)NN)C(F)(F)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue