Chemical ID: 7433164

CCc1cc([nH]n1)C(=O)O
Chemical ID:
7433164
Name [?]:
5-ethyl-2H-pyrazole-3-carboxylic acid
SMILES [?]:
CCc1cc([nH]n1)C(=O)O
InChi [?]:
InChI=1/C6H8N2O2/c1-2-4-3-5(6(9)10)8-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,4,3,5,8,7,6,9,10/E:(9,10)/rA:10nCCCCCNNCOO/rB:s1;s2;s3;d4;s5;d3s6;s5;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O2
All Atoms:18
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.49544
Area:300.005
Solvation:-2.00467
Coulombic:-36.7354
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:140.14
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.82
LogP (Chemaxon):0.3

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Descriptor Annotations

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