ChemDB: Chemical Search
Download
Chemical ID: 7176399
Chemical ID:
7176399
Name [?]:
4-(3,5-dimethoxybenzoyl)amino-1-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C14H16N4O4/c1-18-7-11(12(17-18)13(15)19)16-14(20)8-4-9(21-2)6-10(5-8)22-3/h4-7H,1-3H3,(H2,15,19)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,20,22,18,14,16,3,13,17,15,4,5,7,11,9,10,6,2,8,12,19,21/E:(2,3)(4,5)(9,10)(21,22)/rA:22nCNCCCNCONNCOCCCCCCOCOC/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47099 |
Area: | 499.584 |
Solvation: | -5.01862 |
Coulombic: | -65.7469 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 304.301 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.96 |
LogP (Chemaxon): | 0.57 |
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 |
---|