M4N
~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide
Created: | 2019-10-03 |
Last modified: | 2020-03-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide |
Formula | C11 H11 N3 O |
Molecular Weight | 201.225 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CNC(=O)c1[nH]nc(c1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(n[nH]1)c2ccccc2 |
Canonical SMILES | CACTVS | 3.385 | CNC(=O)c1[nH]nc(c1)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(n[nH]1)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14) |
InChIKey | InChI | 1.03 | JNPCKQOIIRKYRO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 18870913 |
ChEMBL | CHEMBL1995916 |