General Information of the Compound
| Compound ID |
CP0496200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(butan-2-ylamino)-1H-pyrazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C8H13N3O2
|
||||||||||||||||||
| Molecular Weight |
183.211
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)Nc1cc(n[nH]1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C8H13N3O2/c1-3-5(2)9-7-4-6(8(12)13)10-11-7/h4-5H,3H2,1-2H3,(H,12,13)(H2,9,10,11)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSXSIPPVLDPZIO-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound