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Chemical ID: 7158443
Chemical ID:
7158443
Name [?]:
N,N-diethyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
CCN(CC)C(=O)C(C)n1c(cc(n1)C(F)(F)F)C
InChi [?]:
InChI=1/C12H18F3N3O/c1-5-17(6-2)11(19)9(4)18-8(3)7-10(16-18)12(13,14)15/h7,9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,19,9,2,4,12,11,8,13,6,15,16,17,18,14,3,10,7/E:(1,2)(5,6)(13,14,15)/rA:19cCCNCCCOCCNCCCNCFFFC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s8;s10;d11;s12;s10d13;s13;s15;s15;s15;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18F3N3O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.47877 |
Area: | 442.989 |
Solvation: | -3.59597 |
Coulombic: | -39.5333 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 277.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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