Chemical ID: 7171093

CCn1cc(c(n1)C(=O)N)NC(=O)c2c(cccc2F)F
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

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Descriptor Annotations

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