Chemical ID: 5985170

c1ccc(cc1)C(CCNC(=O)c2cc(nn2c3ccccc3Cl)c4ccc(cc4)F)c5ccccc5
Chemical ID:
5985170
Name [?]:
2-(2-chlorophenyl)-N-(3,3-diphenylpropyl)-5-(4-fluorophenyl)-pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)C(CCNC(=O)c2cc(nn2c3ccccc3Cl)c4ccc(cc4)F)c5ccccc5
InChi [?]:
InChI=1/C31H25ClFN3O/c32-27-13-7-8-14-29(27)36-30(21-28(35-36)24-15-17-25(33)18-16-24)31(37)34-20-19-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,21,26H,19-20H2,(H,34,37)
InChi Info:
AuxInfo=1/1/N:1,35,2,6,34,36,21,20,3,5,33,37,22,19,26,30,27,29,8,9,14,4,32,25,28,7,23,15,18,13,11,24,31,10,16,17,12/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)(17,18)(22,23)/rA:37nCCCCCCCCCNCOCCCNNCCCCCCClCCCCCCFCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s23;s15;s25;d26;s27;d28;d25s29;s28;s7;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H25ClFN3O
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:14.5843
Area:739.612
Solvation:-3.90604
Coulombic:-37.2083
Bond Count [?]
All:41
Single:26
Double:15
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:510.001
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.94
LogP (Chemaxon):7.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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