Chemical ID: 5987380

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCC(C)C)C
Chemical ID:
5987380
Name [?]:
5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)-N-isobutyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCC(C)C)C
InChi [?]:
InChI=1/C22H24ClN3O/c1-14(2)13-24-22(27)21-12-19(17-7-5-6-8-18(17)23)25-26(21)20-11-15(3)9-10-16(20)4/h5-12,14H,13H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:25,26,1,27,15,16,14,17,3,4,7,10,23,24,2,5,13,18,11,6,9,20,19,22,12,8,21/E:(1,2)/rA:27nCCCCCCCNCCCNCCCCCCClCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s24;s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24ClN3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9668
Area:598.067
Solvation:-2.98488
Coulombic:-29.6103
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.898
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.8
LogP (Chemaxon):5.41

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