Chemical ID: 5987433

Cc1ccc(o1)c2cc(n(n2)c3ccccc3)C(=O)N4CCC(CC4)C
Chemical ID:
5987433
Name [?]:
[5-(5-methyl-2-furyl)-2-phenyl-pyrazol-3-yl]-(4-methyl-1-piperidyl)-methanone
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccccc3)C(=O)N4CCC(CC4)C
InChi [?]:
InChI=1/C21H23N3O2/c1-15-10-12-23(13-11-15)21(25)19-14-18(20-9-8-16(2)26-20)22-24(19)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:26,1,15,14,16,13,17,3,4,22,24,21,25,8,23,2,12,7,9,5,18,11,20,10,19,6/E:(4,5)(6,7)(10,11)(12,13)/rA:26nCCCCCOCCCNNCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;d18;s18;s20;s21;s22;s23;s20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1024
Area:562.334
Solvation:-2.95595
Coulombic:-31.8216
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.426
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):3.01

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Descriptor Annotations

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