N-(1-phenylpyrazol-4-yl)prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI005191
- Name
- N-(1-phenylpyrazol-4-yl)prop-2-enamide
- Molecular Formula
- C12H11N3O
- Molecular Weight
- 213.090212 g/mol
- Structure
-
- IUPAC Name
- N-(1-phenylpyrazol-4-yl)prop-2-enamide
- InChI
- InChI=1S/C12H11N3O/c1-2-12(16)14-10-8-13-15(9-10)11-6-4-3-5-7-11/h2-9H,1H2,(H,14,16)
- InChI Key
- NAZWVVZWFJUCBM-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1cnn(-c2ccccc2)c1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
213.090212 g/mol
Computed by RDKit
- logP
-
2.247
Computed by ALOGPS
- logS
-
-2.865
Computed by ALOGPS
- Heavy Atom Count
-
16
Computed by RDKit
- Ring Count
-
2
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
3
Computed by RDKit
- Topological Polar Surface Area
-
46.92 Å2
Computed by RDKit
3D Structure
targets
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bioactivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.