ChemDB: Chemical Search
Download
Chemical ID: 7159824
Chemical ID:
7159824
Name [?]:
3-(4-bromo-3-methyl-pyrazol-1-yl)-N,N-dicyclohexyl-propanamide
SMILES [?]:
Cc1c(cn(n1)CCC(=O)N(C2CCCCC2)C3CCCCC3)Br
InChi [?]:
InChI=1/C19H30BrN3O/c1-15-18(20)14-22(21-15)13-12-19(24)23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h14,16-17H,2-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,21,14,16,20,22,13,17,19,23,8,7,4,2,12,18,3,9,24,6,5,11,10/E:(2,3)(4,5,6,7)(8,9,10,11)(16,17)/rA:24nCCCCNNCCCONCCCCCCCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30BrN3O |
All Atoms: | 54 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8822 |
Area: | 554.61 |
Solvation: | -1.98303 |
Coulombic: | -21.1909 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|