Chemical ID: 5981304

c1ccc(cc1)c2cc(n(n2)c3ccccc3)C(=O)N4CCCC4
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

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Descriptor Annotations

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