ChemDB: Chemical Search
Download
Chemical ID: 7174464
Chemical ID:
7174464
Name [?]:
4-[2-(difluoromethyl)pyrazol-3-yl]carbonylamino-N,1-dimethyl-pyrazole-3-carboxamide
SMILES [?]:
CNC(=O)c1c(cn(n1)C)NC(=O)c2ccnn2C(F)F
InChi [?]:
InChI=1/C11H12F2N6O2/c1-14-10(21)8-6(5-18(2)17-8)16-9(20)7-3-4-15-19(7)11(12)13/h3-5,11H,1-2H3,(H,14,21)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,10,15,16,7,6,14,5,12,3,19,20,21,2,17,11,9,8,18,13,4/E:(12,13)/rA:21nCNCOCCCNNCNCOCCCNNCFF/rB:s1;s2;d3;s3;s5;d6;s7;d5s8;s8;s6;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12F2N6O2 |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.63623 |
Area: | 460.991 |
Solvation: | -4.88855 |
Coulombic: | -62.4742 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 298.249 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.22 |
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 |
---|