Chemical ID: 5982028

Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCC(C)C
Chemical ID:
5982028
Name [?]:
5-(4-fluorophenyl)-N-isobutyl-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)NCC(C)C
InChi [?]:
InChI=1/C21H22FN3O/c1-14(2)13-23-21(26)20-12-19(16-6-8-17(22)9-7-16)24-25(20)18-10-4-15(3)5-11-18/h4-12,14H,13H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:25,26,1,3,7,14,18,15,17,4,6,10,23,24,2,13,16,5,11,9,20,19,22,12,8,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCCCCNCCCNCCCCCCFCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22FN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9054
Area:579.218
Solvation:-3.57509
Coulombic:-32.9112
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:5.12
LogP (Chemaxon):4.57

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Descriptor Annotations

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