Chemical ID: 5987381

Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NC(C)C)C
Chemical ID:
5987381
Name [?]:
5-(2-chlorophenyl)-2-(2,5-dimethylphenyl)-N-isopropyl-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)NC(C)C)C
InChi [?]:
InChI=1/C21H22ClN3O/c1-13(2)23-21(26)20-12-18(16-7-5-6-8-17(16)22)24-25(20)19-11-14(3)9-10-15(19)4/h5-13H,1-4H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:24,25,1,26,15,16,14,17,3,4,7,10,23,2,5,13,18,11,6,9,20,19,22,12,8,21/E:(1,2)/rA:26nCCCCCCCNCCCNCCCCCCClCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5913
Area:551.784
Solvation:-2.20326
Coulombic:-30.0732
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.872
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.61
LogP (Chemaxon):4.96

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Descriptor Annotations

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