Chemical ID: 5981920

CCCNC(=O)c1cc(nn1c2ccc(cc2)F)c3ccc(c(c3)C)C
Chemical ID:
5981920
Name [?]:
5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-propyl-pyrazole-3-carboxamide
SMILES [?]:
CCCNC(=O)c1cc(nn1c2ccc(cc2)F)c3ccc(c(c3)C)C
InChi [?]:
InChI=1/C21H22FN3O/c1-4-11-23-21(26)20-13-19(16-6-5-14(2)15(3)12-16)24-25(20)18-9-7-17(22)8-10-18/h5-10,12-13H,4,11H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,2,21,20,14,16,13,17,3,24,8,22,23,19,15,12,9,7,5,18,4,10,11,6/E:(7,8)(9,10)/rA:26nCCCNCOCCCNNCCCCCCFCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s9;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22FN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.172
Area:580.055
Solvation:-3.32933
Coulombic:-32.5729
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.417
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):4.63

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