Chemical ID: 7168869

CCCNC(=O)c1c(cn(n1)CC)NC(=O)c2c(cnn2CC)Br
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

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