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Chemical ID: 5981304
Chemical ID:
5981304
Name [?]:
(2,5-diphenylpyrazol-3-yl)-pyrrolidin-1-yl-methanone
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)c3ccccc3)C(=O)N4CCCC4
InChi [?]:
InChI=1/C20H19N3O/c24-20(22-13-7-8-14-22)19-15-18(16-9-3-1-4-10-16)21-23(19)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,22,23,3,5,13,17,21,24,8,4,12,7,9,18,11,20,10,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCCCCCCCCNNCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1127 |
Area: | 515.98 |
Solvation: | -2.78679 |
Coulombic: | -25.0477 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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