Chemical ID: 5987377

c1ccc(c(c1)c2cc(n(n2)c3ccc(c(c3)Cl)Cl)C(=O)NCc4ccc(cc4)F)Cl
Chemical ID:
5987377
Name [?]:
5-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
SMILES [?]:
c1ccc(c(c1)c2cc(n(n2)c3ccc(c(c3)Cl)Cl)C(=O)NCc4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C23H15Cl3FN3O/c24-18-4-2-1-3-17(18)21-12-22(23(31)28-13-14-5-7-15(27)8-6-14)30(29-21)16-9-10-19(25)20(26)11-16/h1-12H,13H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,25,29,26,28,13,14,17,8,23,24,27,12,5,4,15,16,7,9,20,31,19,18,30,22,11,10,21/E:(5,6)(7,8)/rA:31nCCCCCCCCCNNCCCCCCClClCONCCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s16;s15;s9;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15Cl3FN3O
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9731
Area:675.716
Solvation:-3.91979
Coulombic:-34.3037
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:474.741
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.18
LogP (Chemaxon):6.22

Name Annotations

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Descriptor Annotations

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