Chemical ID: 7218472

Cn1c(cc(n1)C(=O)[O-])C(=O)NCc2ccc(cc2)F
Chemical ID:
7218472
Name [?]:
5-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-pyrazole-3-carboxylate
SMILES [?]:
Cn1c(cc(n1)C(=O)[O-])C(=O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C13H12FN3O3/c1-17-11(6-10(16-17)13(19)20)12(18)15-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,15,18)(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,19,16,18,4,13,14,17,5,3,10,7,20,12,6,2,11,8,9/E:(2,3)(4,5)(19,20)/rA:20nCNCCCNCOO-CONCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s3;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11FN3O3-
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-33.3035
Area:467.626
Solvation:-44.9942
Coulombic:-33.274
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.243
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.94
LogP (Chemaxon):0.81

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