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Chemical ID: 7155282
Chemical ID:
7155282
Name [?]:
N-allyl-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NCC=C)Cl)C(F)(F)F
InChi [?]:
InChI=1/C9H9ClF3N3O/c1-3-4-14-8(17)6-5(10)7(9(11,12)13)16(2)15-6/h3H,1,4H2,2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:12,1,11,10,4,5,3,7,14,13,15,16,17,9,6,2,8/E:(11,12,13)/rA:17nCNCCCNCONCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;d11;s4;s3;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9ClF3N3O |
All Atoms: | 26 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94394 |
Area: | 410.945 |
Solvation: | -2.32968 |
Coulombic: | -47.6092 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.635 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.01 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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