Chemical ID: 5985417

CC(C)C(C)NC(=O)c1cc(nn1c2ccccc2Cl)c3cccc(c3)OC
Chemical ID:
5985417
Name [?]:
2-(2-chlorophenyl)-N-(1,2-dimethylpropyl)-5-(3-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
CC(C)C(C)NC(=O)c1cc(nn1c2ccccc2Cl)c3cccc(c3)OC
InChi [?]:
InChI=1/C22H24ClN3O2/c1-14(2)15(3)24-22(27)21-13-19(16-8-7-9-17(12-16)28-4)25-26(21)20-11-6-5-10-18(20)23/h5-15H,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,3,5,28,17,16,23,22,24,18,15,26,10,2,4,21,25,19,11,14,9,7,20,6,12,13,8,27/E:(1,2)/rA:28cCCCCCNCOCCCNNCCCCCCClCCCCCCOC/rB:s1;s2;s2;s4;s4;s6;d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s19;s11;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.4307
Area:601.162
Solvation:-3.59832
Coulombic:-37.525
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.898
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.51
LogP (Chemaxon):4.64

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