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Chemical ID: 5981709
Chemical ID:
5981709
Name [?]:
5-(2-fluorophenyl)-2-(4-fluorophenyl)-N-phenethyl-pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2cc(nn2c3ccc(cc3)F)c4ccccc4F
InChi [?]:
InChI=1/C24H19F2N3O/c25-18-10-12-19(13-11-18)29-23(16-22(28-29)20-8-4-5-9-21(20)26)24(30)27-15-14-17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,27,3,5,25,28,19,21,18,22,7,8,13,4,20,17,24,29,14,12,10,23,30,9,15,16,11/E:(2,3)(6,7)(10,11)(12,13)/rA:30nCCCCCCCCNCOCCCNNCCCCCCFCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;d20;d17s21;s20;s14;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19F2N3O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4556 |
Area: | 623.958 |
Solvation: | -5.14332 |
Coulombic: | -36.7523 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 403.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.63 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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