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Chemical ID: 5898199
Chemical ID:
5898199
Name [?]:
2-(4-fluorophenyl)-5-(2-furyl)-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide
SMILES [?]:
c1cc(oc1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN4CCCCC4
InChi [?]:
InChI=1/C21H23FN4O2/c22-16-6-8-17(9-7-16)26-19(15-18(24-26)20-5-4-14-28-20)21(27)23-10-13-25-11-2-1-3-12-25/h4-9,14-15H,1-3,10-13H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:26,25,27,1,2,13,15,12,16,21,24,28,22,5,7,14,11,6,8,3,18,17,20,10,23,9,19,4/E:(2,3)(6,7)(8,9)(11,12)/rA:28nCCCOCCCCNNCCCCCCFCONCCNCCCCC/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s9;s11;d12;s13;d14;d11s15;s14;s8;d18;s18;s20;s21;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23FN4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0166 |
Area: | 609.536 |
Solvation: | -4.22179 |
Coulombic: | -43.9013 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.431 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.02 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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