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Chemical ID: 7384423
Chemical ID:
7384423
Name [?]:
5-(2-hydroxy-5-methyl-phenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(c(c1)c2cc([nH]n2)C(=O)Nc3nnc(s3)C)O
InChi [?]:
InChI=1/C14H13N5O2S/c1-7-3-4-12(20)9(5-7)10-6-11(18-17-10)13(21)15-14-19-16-8(2)22-14/h3-6,20H,1-2H3,(H,17,18)(H,15,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,3,4,7,9,2,19,6,8,10,5,13,16,15,18,12,11,17,22,14,20/rA:22nCCCCCCCCCCNNCONCNNCSCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;d13;s13;s15;d16;s17;d18;s16s19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N5O2S |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9019 |
Area: | 513.01 |
Solvation: | -3.92335 |
Coulombic: | -50.968 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.352 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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