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Chemical ID: 7220815
Chemical ID:
7220815
Name [?]:
N-(1,5-dimethylpyrazol-4-yl)-4-(1-ethylpyrazol-4-yl)carbonylamino-2-methyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(cn1)C(=O)Nc2cnn(c2C(=O)Nc3cnn(c3C)C)C
InChi [?]:
InChI=1/C16H20N8O2/c1-5-24-9-11(6-19-24)15(25)21-13-8-18-23(4)14(13)16(26)20-12-7-17-22(3)10(12)2/h6-9H,5H2,1-4H3,(H,20,26)(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,2,6,20,12,4,23,5,19,11,15,8,16,21,13,7,18,10,22,14,3,9,17/rA:26nCCNCCCNCONCCNNCCONCCNNCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s10;s11;d12;s13;d11s14;s15;d16;s16;s18;s19;d20;s21;d19s22;s23;s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N8O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83944 |
Area: | 590.908 |
Solvation: | -4.93326 |
Coulombic: | -52.7237 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.383 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.36 |
LogP (Chemaxon): | -1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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