Chemical ID: 4736352

Cc1cc(n[nH]1)C(=O)O
Chemical ID:
4736352
Name [?]:
5-methyl-1H-pyrazole-3-carboxylic acid
SMILES [?]:
Cc1cc(n[nH]1)C(=O)O
InChi [?]:
InChI=1/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,7,6,5,8,9/E:(8,9)/rA:9nCCCCNNCOO/rB:s1;d2;s3;d4;s2s5;s4;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N2O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.80318
Area:275.647
Solvation:-2.088
Coulombic:-36.7489
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:126.113
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.56
LogP (Chemaxon):0.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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