(4-methylpyrazol-1-yl)-(1-piperidyl)methanone
Inhibitor information
- CovInDB Inhibitor
- CI003459
- Name
- (4-methylpyrazol-1-yl)-(1-piperidyl)methanone
- Molecular Formula
- C10H15N3O
- Molecular Weight
- 193.12 g/mol
- Structure
-
- IUPAC Name
- (4-methylpyrazol-1-yl)-(1-piperidyl)methanone
- InChI
- InChI=1S/C10H15N3O/c1-9-7-11-13(8-9)10(14)12-5-3-2-4-6-12/h7-8H,2-6H2,1H3
- InChI Key
- OSNDHJDVIJJVOE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cnn(C(=O)N2CCCCC2)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
193.12 g/mol
Computed by RDKit
- logP
-
1.11
Computed by ALOGPS
- logS
-
-1.55
Computed by ALOGPS
- Heavy Atom Count
-
14
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
0
Computed by RDKit
- Topological Polar Surface Area
-
38.13 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
|---|
Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.