Chemical ID: 5898644

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccco3)C(=O)Nc4ccccc4F
Chemical ID:
5898644
Name [?]:
2-(2,4-dimethylphenyl)-N-(2-fluorophenyl)-5-(2-furyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccco3)C(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C22H18FN3O2/c1-14-9-10-19(15(2)12-14)26-20(13-18(25-26)21-8-5-11-28-21)22(27)24-17-7-4-3-6-16(17)23/h3-13H,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,8,25,24,16,26,23,15,3,4,17,7,11,2,6,27,22,12,5,10,14,19,28,21,13,9,20,18/rA:28nCCCCCCCCNCCCNCCCCOCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;d14;s15;d16;s14s17;s10;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.726
Area:558.956
Solvation:-3.24791
Coulombic:-40.985
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.396
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.53
LogP (Chemaxon):4.28

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Descriptor Annotations

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