Chemical ID: 5982601

COc1cccc(c1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCc4ccc(cc4)F
Chemical ID:
5982601
Name [?]:
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
COc1cccc(c1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCc4ccc(cc4)F
InChi [?]:
InChI=1/C24H19F2N3O2/c1-31-21-4-2-3-17(13-21)22-14-23(29(28-22)20-11-9-19(26)10-12-20)24(30)27-15-16-5-7-18(25)8-6-16/h2-14H,15H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,26,30,27,29,16,18,15,19,8,10,24,25,7,28,17,14,3,9,11,21,31,20,23,13,12,22,2/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCOCCCCCCCCCNNCCCCCCFCONCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s17;s11;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19F2N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.0036
Area:638.888
Solvation:-5.96863
Coulombic:-43.3592
Bond Count [?]
All:34
Single:22
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:419.423
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.39
LogP (Chemaxon):4.55

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Descriptor Annotations

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