Chemical ID: 7123174

CCn1c(ccn1)C(=O)[O-]
Chemical ID:
7123174
Name [?]:
2-ethylpyrazole-3-carboxylate
SMILES [?]:
CCn1c(ccn1)C(=O)[O-]
InChi [?]:
InChI=1/C6H8N2O2/c1-2-8-5(6(9)10)3-4-7-8/h3-4H,2H2,1H3,(H,9,10)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,8,7,3,9,10/E:(9,10)/rA:10nCCNCCCNCOO-/rB:s1;s2;s3;d4;s5;s3d6;s4;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7N2O2-
All Atoms:17
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-35.089
Area:286.95
Solvation:-42.2628
Coulombic:-6.20794
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:139.132
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.17
LogP (Chemaxon):-0.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue