General Information of the Compound
Compound ID
CP0436695
Compound Name
3-isopropyl-1H-pyrazole-5-carboxylic acid
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Synonyms
1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-
3-(methylethyl)pyrazole-5-carboxylic acid
3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
3-isopropyl-1H-pyrazole-5-carboxylic acid
5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
5-ISOPROPYLPYRAZOLE-3-CARBOXYLIC ACID
5-Isopropyl-1H-pyrazole-3-carboxylic acid
5-Isopropyl-2H-pyrazole-3-carboxylic acid
5-isopropyl-1H-pyrazol-3-carboxylic acid
5-isopropyl-1H-pyrazole-3-carboxylic acid
890590-91-7
92933-47-6
AC1Q1OGL
AC1Q5UGZ
ACMC-20cbo3
BAS 15375081
CHEMBL238002
CHWXKAHFWLSLOQ-UHFFFAOYSA-N
PubChem22754
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Structure
Formula
C7H10N2O2
Molecular Weight
154.169
Canonical SMILES
CC(C)c1cc(n[nH]1)C(O)=O
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InChI
InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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InChIKey
CHWXKAHFWLSLOQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.2313
Rotatable Bonds
2
Heavy Atom Count
11
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
11

"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).

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PubChem ID
CID: 776421
SID: 17158258
ChEMBL ID
CHEMBL238002
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
Protein ID: PT01282, Hydroxycarboxylic acid receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-Isopropyl-1H-pyrazole-3-carboxylic acid )
Drug Name 5-Isopropyl-1H-pyrazole-3-carboxylic acid
Target(s)
Nicotinic acid receptor (HCAR2)
 Target Info 
Inhibitor