Chemical ID: 7122457

CCn1cc(cn1)C(=O)[O-]
Chemical ID:
7122457
Name [?]:
1-ethylpyrazole-4-carboxylate
SMILES [?]:
CCn1cc(cn1)C(=O)[O-]
InChi [?]:
InChI=1/C6H8N2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,4,5,8,7,3,9,10/E:(9,10)/rA:10nCCNCCCNCOO-/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7N2O2-
All Atoms:17
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-34.5866
Area:298.792
Solvation:-42.0564
Coulombic:-5.84006
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:0.07
LogP (Chemaxon):0.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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