Chemical ID: 7171243

CCn1c(c(cn1)NC(=O)c2ccc(cc2)F)C(=O)N
Chemical ID:
7171243
Name [?]:
2-ethyl-4-(4-fluorobenzoyl)amino-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(cn1)NC(=O)c2ccc(cc2)F)C(=O)N
InChi [?]:
InChI=1/C13H13FN4O2/c1-2-18-11(12(15)19)10(7-16-18)17-13(20)8-3-5-9(14)6-4-8/h3-7H,2H2,1H3,(H2,15,19)(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,12,16,13,15,6,11,14,5,4,18,9,17,20,7,8,3,19,10/E:(3,4)(5,6)/rA:20nCCNCCCNNCOCCCCCCFCON/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13FN4O2
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.69684
Area:461.688
Solvation:-3.84537
Coulombic:-55.8633
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.266
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.81
LogP (Chemaxon):0.92

Name Annotations

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Descriptor Annotations

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