Chemical ID: 5984931

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3F)C(=O)NC(C)C
Chemical ID:
5984931
Name [?]:
2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-isopropyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3F)C(=O)NC(C)C
InChi [?]:
InChI=1/C21H22FN3O/c1-13(2)23-21(26)20-12-18(16-7-5-6-8-17(16)22)24-25(20)19-10-9-14(3)11-15(19)4/h5-13H,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:25,26,1,8,16,17,15,18,3,4,7,11,24,2,6,14,19,12,5,10,21,20,23,13,9,22/E:(1,2)/rA:26nCCCCCCCCNCCCNCCCCCCFCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s10;d21;s21;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22FN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2308
Area:543.933
Solvation:-3.36756
Coulombic:-32.7104
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.417
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.15
LogP (Chemaxon):4.58

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Descriptor Annotations

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