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Chemical ID: 5985417
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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