Chemical ID: 7170486

Cn1cc(c(n1)C(=O)N)NC(=O)c2ccccc2F
Chemical ID:
7170486
Name [?]:
4-(2-fluorobenzoyl)amino-1-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C12H11FN4O2/c1-17-6-9(10(16-17)11(14)18)15-12(19)7-4-2-3-5-8(7)13/h2-6H,1H3,(H2,14,18)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,3,13,18,4,5,7,11,19,9,10,6,2,8,12/rA:19nCNCCCNCONNCOCCCCCCF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11FN4O2
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.15867
Area:430.094
Solvation:-3.59367
Coulombic:-56.231
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.24
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.29
LogP (Chemaxon):1.22

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