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Chemical ID: 5987433
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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