Chemical ID: 7159822

Cc1c(cn(n1)C(C)C(=O)N2CCN(CC2)c3ncccn3)Br
Chemical ID:
7159822
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-propan-1-one
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)N2CCN(CC2)c3ncccn3)Br
InChi [?]:
InChI=1/C15H19BrN6O/c1-11-13(16)10-22(19-11)12(2)14(23)20-6-8-21(9-7-20)15-17-4-3-5-18-15/h3-5,10,12H,6-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,20,19,21,12,16,13,15,4,2,7,3,9,17,23,18,22,6,11,14,5,10/E:(4,5)(6,7)(8,9)(17,18)/rA:23cCCCCNNCCCONCCNCCCNCCCNBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19BrN6O
All Atoms:42
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.07767
Area:528.864
Solvation:-4.14392
Coulombic:-37.6339
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.255
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.54
LogP (Chemaxon):1.49

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