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Chemical ID: 5982107
Chemical ID:
5982107
Name [?]:
2,5-bis(4-fluorophenyl)-N-propyl-pyrazole-3-carboxamide
SMILES [?]:
CCCNC(=O)c1cc(nn1c2ccc(cc2)F)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17F2N3O/c1-2-11-22-19(25)18-12-17(13-3-5-14(20)6-4-13)23-24(18)16-9-7-15(21)8-10-16/h3-10,12H,2,11H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,20,24,21,23,14,16,13,17,3,8,19,22,15,12,9,7,5,25,18,4,10,11,6/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCNCOCCCNNCCCCCCFCCCCCCF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s9;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17F2N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35822 |
Area: | 544.498 |
Solvation: | -4.25423 |
Coulombic: | -35.8062 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 341.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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