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Chemical ID: 5991393
Chemical ID:
5991393
Name [?]:
2-(2-chlorophenyl)-N,N-diethyl-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc(nn1c2ccccc2Cl)c3ccc(o3)C
InChi [?]:
InChI=1/C19H20ClN3O2/c1-4-22(5-2)19(24)17-12-15(18-11-10-13(3)25-18)21-23(17)16-9-7-6-8-14(16)20/h6-12H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,25,2,4,16,15,17,14,22,21,9,23,18,10,13,8,20,6,19,11,3,12,7,24/E:(1,2)(4,5)/rA:25nCCNCCCOCCCNNCCCCCCClCCCCOC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s18;s10;d20;s21;d22;s20s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.047 |
Area: | 552.623 |
Solvation: | -2.76855 |
Coulombic: | -32.0409 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.834 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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