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Chemical ID: 5982188
Chemical ID:
5982188
Name [?]:
2-(3-chlorophenyl)-5-(4-fluorophenyl)-N-propyl-pyrazole-3-carboxamide
SMILES [?]:
CCCNC(=O)c1cc(nn1c2cccc(c2)Cl)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17ClFN3O/c1-2-10-22-19(25)18-12-17(13-6-8-15(21)9-7-13)23-24(18)16-5-3-4-14(20)11-16/h3-9,11-12H,2,10H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,20,24,21,23,3,17,8,19,16,22,12,9,7,5,18,25,4,10,11,6/E:(6,7)(8,9)/rA:25nCCCNCOCCCNNCCCCCCClCCCCCCF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;s9;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClFN3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8649 |
Area: | 573.23 |
Solvation: | -3.46581 |
Coulombic: | -32.9971 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.809 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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