Chemical ID: 5898106

Cc1ccc(cc1)n2c(cc(n2)c3ccco3)C(=O)NC(C)c4ccccc4
Chemical ID:
5898106
Name [?]:
5-(2-furyl)-N-(1-phenylethyl)-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3ccco3)C(=O)NC(C)c4ccccc4
InChi [?]:
InChI=1/C23H21N3O2/c1-16-10-12-19(13-11-16)26-21(15-20(25-26)22-9-6-14-28-22)23(27)24-17(2)18-7-4-3-5-8-18/h3-15,17H,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,22,26,25,27,15,24,28,14,3,7,4,6,16,10,2,21,23,5,11,9,13,18,20,12,8,19,17/E:(4,5)(7,8)(10,11)(12,13)/rA:28cCCCCCCCNCCCNCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;d13;s14;d15;s13s16;s9;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.877
Area:607.643
Solvation:-3.31408
Coulombic:-37.6566
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.432
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.81
LogP (Chemaxon):4.35

Name Annotations

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Descriptor Annotations

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