Chemical ID: 7212510

Cc1c(cn(n1)C(C)C(=O)NC(C)C)Br
Chemical ID:
7212510
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N-isopropyl-propanamide
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)NC(C)C)Br
InChi [?]:
InChI=1/C10H16BrN3O/c1-6(2)12-10(15)8(4)14-5-9(11)7(3)13-14/h5-6,8H,1-4H3,(H,12,15)
InChi Info:
AuxInfo=1/1/N:13,14,1,8,4,12,2,7,3,9,15,11,6,5,10/E:(1,2)/rA:15cCCCCNNCCCONCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;s12;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H16BrN3O
All Atoms:31
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.74624
Area:416.567
Solvation:-2.66794
Coulombic:-24.934
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:274.158
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.04
LogP (Chemaxon):1.5

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