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Chemical ID: 7171093
Chemical ID:
7171093
Name [?]:
4-(2,6-difluorobenzoyl)amino-1-ethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N)NC(=O)c2c(cccc2F)F
InChi [?]:
InChI=1/C13H12F2N4O2/c1-2-19-6-9(11(18-19)12(16)20)17-13(21)10-7(14)4-3-5-8(10)15/h3-6H,2H2,1H3,(H2,16,20)(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,4,15,19,5,14,6,8,12,21,20,10,11,7,3,9,13/E:(4,5)(7,8)(14,15)/rA:21nCCNCCCNCONNCOCCCCCCFF/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12F2N4O2 |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6427 |
Area: | 467.81 |
Solvation: | -4.05256 |
Coulombic: | -59.0335 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.257 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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