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Chemical ID: 7171243
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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Experimental Annotations
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Descriptor Annotations
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