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Chemical ID: 5982600
Chemical ID:
5982600
Name [?]:
2-(4-fluorophenyl)-5-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILES [?]:
COCCCNC(=O)c1cc(nn1c2ccc(cc2)F)c3cccc(c3)OC
InChi [?]:
InChI=1/C21H22FN3O3/c1-27-12-4-11-23-21(26)20-14-19(15-5-3-6-18(13-15)28-2)24-25(20)17-9-7-16(22)8-10-17/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,23,4,22,24,16,18,15,19,5,3,26,10,21,17,14,25,11,9,7,20,6,12,13,8,2,27/E:(7,8)(9,10)/rA:28nCOCCCNCOCCCNNCCCCCCFCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s11;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22FN3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15814 |
Area: | 624.337 |
Solvation: | -6.45028 |
Coulombic: | -46.0319 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 383.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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