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Chemical ID: 5898164
Chemical ID:
5898164
Name [?]:
2-(4-chlorophenyl)-5-(2-furyl)-N-[2-(2-pyridyl)ethyl]pyrazole-3-carboxamide
SMILES [?]:
c1ccnc(c1)CCNC(=O)c2cc(nn2c3ccc(cc3)Cl)c4ccco4
InChi [?]:
InChI=1/C21H17ClN4O2/c22-15-6-8-17(9-7-15)26-19(14-18(25-26)20-5-3-13-28-20)21(27)24-12-10-16-4-1-2-11-23-16/h1-9,11,13-14H,10,12H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,26,6,25,19,21,18,22,7,3,8,27,13,20,5,17,14,12,24,10,23,4,9,15,16,11,28/E:(6,7)(8,9)/rA:28nCCCNCCCCNCOCCCNNCCCCCCClCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;d20;d17s21;s20;s14;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8979 |
Area: | 631.652 |
Solvation: | -3.89341 |
Coulombic: | -40.5754 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.838 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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