Chemical ID: 6733056

c1c(n[nH]c1C(=O)[O-])C2CC2
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

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Experimental Annotations

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Descriptor Annotations

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