Chemical ID: 7157960

CCn1c(c(cn1)Br)C(=O)NC2CC(NC(C2)(C)C)(C)C
Chemical ID:
7157960
Name [?]:
4-bromo-2-ethyl-N-(2,2,6,6-tetramethyl-4-piperidyl)-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(cn1)Br)C(=O)NC2CC(NC(C2)(C)C)(C)C
InChi [?]:
InChI=1/C15H25BrN4O/c1-6-20-12(11(16)9-17-20)13(21)18-10-7-14(2,3)19-15(4,5)8-10/h9-10,19H,6-8H2,1-5H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,20,21,2,17,13,6,12,5,4,9,16,14,8,7,11,15,3,10/E:(2,3,4,5)(7,8)(14,15)/rA:21nCCNCCCNBrCONCCCNCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s4;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s16;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H25BrN4O
All Atoms:46
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4556
Area:512.131
Solvation:-2.34763
Coulombic:-35.1154
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:357.289
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):0.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue