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Chemical ID: 7168869
Chemical ID:
7168869
Name [?]:
4-(4-bromo-2-ethyl-pyrazol-3-yl)carbonylamino-1-ethyl-N-propyl-pyrazole-3-carboxamide
SMILES [?]:
CCCNC(=O)c1c(cn(n1)CC)NC(=O)c2c(cnn2CC)Br
InChi [?]:
InChI=1/C15H21BrN6O2/c1-4-7-17-14(23)12-11(9-21(5-2)20-12)19-15(24)13-10(16)8-18-22(13)6-3/h8-9H,4-7H2,1-3H3,(H,17,23)(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,13,23,2,12,22,3,19,9,18,8,7,17,5,15,24,4,20,14,11,10,21,6,16/rA:24nCCCNCOCCCNNCCNCOCCCNNCCBr/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d7s10;s10;s12;s8;s14;d15;s15;d17;s18;d19;s17s20;s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21BrN6O2 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7866 |
Area: | 585.101 |
Solvation: | -2.84093 |
Coulombic: | -53.629 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 397.27 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.58 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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