Chemical ID: 5981919

CCN(CC)C(=O)c1cc(nn1c2ccc(cc2)F)c3ccc(c(c3)C)C
Chemical ID:
5981919
Name [?]:
5-(3,4-dimethylphenyl)-N,N-diethyl-2-(4-fluorophenyl)-pyrazole-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc(nn1c2ccc(cc2)F)c3ccc(c(c3)C)C
InChi [?]:
InChI=1/C22H24FN3O/c1-5-25(6-2)22(27)21-14-20(17-8-7-15(3)16(4)13-17)24-26(21)19-11-9-18(23)10-12-19/h7-14H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,27,26,2,4,22,21,15,17,14,18,25,9,23,24,20,16,13,10,8,6,19,11,3,12,7/E:(1,2)(5,6)(9,10)(11,12)/rA:27nCCNCCCOCCCNNCCCCCCFCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24FN3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0108
Area:569.979
Solvation:-3.23865
Coulombic:-27.9951
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.444
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.46
LogP (Chemaxon):4.75

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Descriptor Annotations

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