ChemDB: Chemical Search
Download
Chemical ID: 7155178
Chemical ID:
7155178
Name [?]:
4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(cn1)CN(C)C(=O)c2c(c(n(n2)C)C)Cl
InChi [?]:
InChI=1/C13H18ClN5O/c1-5-19-8-10(6-15-19)7-17(3)13(20)12-11(14)9(2)18(4)16-12/h6,8H,5,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,10,18,2,6,8,4,15,5,14,13,11,20,7,17,9,16,3,12/rA:20nCCNCCCNCNCCOCCCNNCCCl/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s9;s9;d11;s11;s13;d14;s15;d13s16;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClN5O |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84118 |
Area: | 474.688 |
Solvation: | -3.02602 |
Coulombic: | -25.8719 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.768 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.46 |
LogP (Chemaxon): | 0.79 |
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 |
---|