Chemical ID: 7212440

Cc1c(cn(n1)C)C[NH+]2CCN(CC2)C(=O)c3c(c(nn3C)C)Cl
Chemical ID:
7212440
Name [?]:
(4-chloro-2,5-dimethyl-pyrazol-3-yl)-[4-[(1,3-dimethylpyrazol-4-yl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-methanone
SMILES [?]:
Cc1c(cn(n1)C)C[NH+]2CCN(CC2)C(=O)c3c(c(nn3C)C)Cl
InChi [?]:
InChI=1/C16H23ClN6O/c1-11-13(9-20(3)18-11)10-22-5-7-23(8-6-22)16(24)15-14(17)12(2)19-21(15)4/h9H,5-8,10H2,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,23,7,22,10,14,11,13,4,8,2,19,3,18,17,15,24,6,20,5,21,9,12,16/E:(5,6)(7,8)/rA:24nCCCCNNCCN+CCNCCCOCCCNNCCCl/rB:s1;s2;d3;s4;d2s5;s5;s3;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;d17;s18;d19;s17s20;s21;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24ClN6O+
All Atoms:48
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-20.9891
Area:553.904
Solvation:-34.8367
Coulombic:8.88883
Bond Count [?]
All:26
Single:21
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.854
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.83
LogP (Chemaxon):-0.06

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