Chemical ID: 6733967

CCCn1cc(c(n1)C)C(=O)[O-]
Chemical ID:
6733967
Name [?]:
3-methyl-1-propyl-pyrazole-4-carboxylate
SMILES [?]:
CCCn1cc(c(n1)C)C(=O)[O-]
InChi [?]:
InChI=1/C8H12N2O2/c1-3-4-10-5-7(8(11)12)6(2)9-10/h5H,3-4H2,1-2H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,9,2,3,5,7,6,10,8,4,11,12/E:(11,12)/rA:12nCCCNCCCNCCOO-/rB:s1;s2;s3;s4;d5;s6;s4d7;s7;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N2O2-
All Atoms:23
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-32.7866
Area:342.879
Solvation:-41.3586
Coulombic:-6.22143
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.185
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.57
LogP (Chemaxon):0.56

Name Annotations

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Descriptor Annotations

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