Chemical ID: 7114813

CCc1ccc(cc1)c2cc([nH]n2)C(=O)O
Chemical ID:
7114813
Name [?]:
5-(4-ethylphenyl)-2H-pyrazole-3-carboxylic acid
SMILES [?]:
CCc1ccc(cc1)c2cc([nH]n2)C(=O)O
InChi [?]:
InChI=1/C12H12N2O2/c1-2-8-3-5-9(6-4-8)10-7-11(12(15)16)14-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,10,3,6,9,11,14,13,12,15,16/E:(3,4)(5,6)(15,16)/rA:16nCCCCCCCCCCCNNCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O2
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.01126
Area:408.151
Solvation:-2.19251
Coulombic:-38.9166
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:216.236
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.18
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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