Chemical ID: 6705476

CCCn1c(c(cn1)C(=O)[O-])C
Chemical ID:
6705476
Name [?]:
5-methyl-1-propyl-pyrazole-4-carboxylate
SMILES [?]:
CCCn1c(c(cn1)C(=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H11N2O2-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-32.8522
Area:338.544
Solvation:-41.3158
Coulombic:-6.04734
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:0.67
LogP (Chemaxon):0.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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