ChemDB: Chemical Search
Download
Chemical ID: 7211450
Chemical ID:
7211450
Name [?]:
N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILES [?]:
Cc1c(cn(n1)C)C(=O)N(C)Cc2c(nn(c2C)C)C
InChi [?]:
InChI=1/C14H21N5O/c1-9-12(11(3)19(6)16-9)7-17(4)14(20)13-8-18(5)15-10(13)2/h8H,7H2,1-6H3
InChi Info:
AuxInfo=1/0/N:20,1,18,11,7,19,12,4,14,2,17,13,3,8,6,15,10,5,16,9/rA:20nCCCCNNCCONCCCCNNCCCC/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s8;s10;s10;s12;s13;d14;s15;d13s16;s17;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N5O |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01941 |
Area: | 467.243 |
Solvation: | -3.66166 |
Coulombic: | -22.7193 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.79 |
LogP (Chemaxon): | -0.13 |
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 |
---|