ChemDB: Chemical Search
Download
Chemical ID: 7155005
Chemical ID:
7155005
Name [?]:
4-chloro-N-(3-dimethylaminopropyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NCCCN(C)C)Cl)C(F)(F)F
InChi [?]:
InChI=1/C11H16ClF3N4O/c1-18(2)6-4-5-16-10(20)8-7(12)9(11(13,14)15)19(3)17-8/h4-6H2,1-3H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:14,15,1,11,10,12,4,5,3,7,17,16,18,19,20,9,6,13,2,8/E:(1,2)(13,14,15)/rA:20nCNCCCNCONCCCNCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s13;s4;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16ClF3N4O |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21935 |
Area: | 483.372 |
Solvation: | -2.86494 |
Coulombic: | -50.7451 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.719 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.61 |
LogP (Chemaxon): | 0.09 |
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 |
---|