Chemical ID: 7220861

CCn1cc(c(n1)C)CNC(=O)CCn2cc(c(n2)C)Br
Chemical ID:
7220861
Name [?]:
3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]propanamide
SMILES [?]:
CCn1cc(c(n1)C)CNC(=O)CCn2cc(c(n2)C)Br
InChi [?]:
InChI=1/C14H20BrN5O/c1-4-19-8-12(10(2)17-19)7-16-14(21)5-6-20-9-13(15)11(3)18-20/h8-9H,4-7H2,1-3H3,(H,16,21)
InChi Info:
AuxInfo=1/1/N:1,8,20,2,13,14,9,4,16,6,18,5,17,11,21,10,7,19,3,15,12/rA:21nCCNCCCNCCNCOCCNCCCNCBr/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20BrN5O
All Atoms:41
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1384
Area:544.745
Solvation:-3.48025
Coulombic:-26.7888
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.246
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.56
LogP (Chemaxon):0.95

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