General Information of the Compound
Compound ID
CP0572317
Compound Name
1-(4-chlorophenyl)pyrazole
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Structure
Formula
C9H7ClN2
Molecular Weight
178.622
Canonical SMILES
Clc1ccc(cc1)-n1cccn1
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InChI
InChI=1S/C9H7ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
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InChIKey
CLGKHQCZJWOXGO-UHFFFAOYSA-N
Physicochemical Property
logP
2.5257
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 12238132
SID: 74376974
ChEMBL ID
CHEMBL4743342
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: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 69000 nM
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