ChemDB: Chemical Search
Download
Chemical ID: 6304462
Chemical ID:
6304462
Name [?]:
N-(2-carbamoylphenyl)-1,3-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(cn(n1)C)C(=O)Nc2ccccc2C(=O)N
InChi [?]:
InChI=1/C13H14N4O2/c1-8-10(7-17(2)16-8)13(19)15-11-6-4-3-5-9(11)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,7,14,13,15,12,4,2,16,3,11,17,8,19,10,6,5,18,9/rA:19nCCCCNNCCONCCCCCCCON/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N4O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85704 |
Area: | 437.234 |
Solvation: | -3.07382 |
Coulombic: | -50.7049 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.276 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.85 |
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 |
---|