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Chemical ID: 5991682
Chemical ID:
5991682
Name [?]:
N,2-bis(4-fluorophenyl)-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)F)C(=O)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C21H15F2N3O2/c1-13-2-11-20(28-13)18-12-19(21(27)24-16-7-3-14(22)4-8-16)26(25-18)17-9-5-15(23)6-10-17/h2-12H,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,3,24,26,14,16,23,27,13,17,4,8,2,25,15,22,12,7,9,5,19,28,18,21,11,10,20,6/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCOCCCNNCCCCCCFCONCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15F2N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66986 |
Area: | 578.328 |
Solvation: | -4.78834 |
Coulombic: | -42.0757 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 379.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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