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Chemical ID: 5981434
Chemical ID:
5981434
Name [?]:
2-(4-fluorophenyl)-5-phenyl-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN4CCCCC4
InChi [?]:
InChI=1/C23H25FN4O/c24-19-9-11-20(12-10-19)28-22(17-21(26-28)18-7-3-1-4-8-18)23(29)25-13-16-27-14-5-2-6-15-27/h1,3-4,7-12,17H,2,5-6,13-16H2,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,26,28,3,5,14,16,13,17,22,25,29,23,8,4,15,12,7,9,19,18,21,11,24,10,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:29nCCCCCCCCCNNCCCCCCFCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25FN4O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7662 |
Area: | 626.425 |
Solvation: | -3.89442 |
Coulombic: | -37.6326 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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