ChemDB: Chemical Search
Download
Chemical ID: 7158834
Chemical ID:
7158834
Name [?]:
N-(5-carbamoyl-1-ethyl-pyrazol-4-yl)-1-ethyl-3-methyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1cc(c(n1)C)C(=O)Nc2cnn(c2C(=O)N)CC
InChi [?]:
InChI=1/C13H18N6O2/c1-4-18-7-9(8(3)17-18)13(21)16-10-6-15-19(5-2)11(10)12(14)20/h6-7H,4-5H2,1-3H3,(H2,14,20)(H,16,21)
InChi Info:
AuxInfo=1/1/N:1,21,8,2,20,13,4,6,5,12,16,17,9,19,14,11,7,3,15,18,10/rA:21nCCNCCCNCCONCCNNCCONCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;d9;s9;s11;s12;d13;s14;d12s15;s16;d17;s17;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N6O2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83245 |
Area: | 501.134 |
Solvation: | -3.69591 |
Coulombic: | -54.6161 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 290.321 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.7 |
LogP (Chemaxon): | -0.43 |
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 |
---|