ChemDB: Chemical Search
Download
Chemical ID: 7212793
Chemical ID:
7212793
Name [?]:
N-cyclopentyl-1,3,5-trimethyl-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(c(n(n1)C)C)C(=O)NC2CCCC2
InChi [?]:
InChI=1/C12H19N3O/c1-8-11(9(2)15(3)14-8)12(16)13-10-6-4-5-7-10/h10H,4-7H2,1-3H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,8,7,14,15,13,16,2,4,12,3,9,11,6,5,10/E:(4,5)(6,7)/rA:16nCCCCNNCCCONCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;d9;s9;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N3O |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18556 |
Area: | 415.583 |
Solvation: | -2.20402 |
Coulombic: | -25.1425 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 221.299 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.56 |
LogP (Chemaxon): | 0.59 |
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 |
---|