ChemDB: Chemical Search
Download
Chemical ID: 6733056
Chemical ID:
6733056
Name [?]:
5-cyclopropyl-2H-pyrazole-3-carboxylate
SMILES [?]:
c1c(n[nH]c1C(=O)[O-])C2CC2
InChi [?]:
InChI=1/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:10,11,1,9,2,5,6,3,4,7,8/E:(1,2)(10,11)/rA:11nCCNNCCOO-CCC/rB:s1;d2;s3;d1s4;s5;d6;s6;s2;s9;s9s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H7N2O2- |
All Atoms: | 18 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.1245 |
Area: | 313.428 |
Solvation: | -41.9602 |
Coulombic: | -12.0812 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.143 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.29 |
LogP (Chemaxon): | 0.37 |
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 |
---|