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Chemical ID: 7170909
Chemical ID:
7170909
Name [?]:
4-(2-chlorobenzoyl)amino-1-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C12H11ClN4O2/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:19nCNCCCNCONNCOCCCCCCCl/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: | C12H11ClN4O2 |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74748 |
Area: | 448.762 |
Solvation: | -2.47157 |
Coulombic: | -53.6875 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.694 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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