JHP
Summary
| Name: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide |
| Formula: | C10 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.691 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 4-chloranyl-~{N}-cyclopentyl-1-methyl-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(NC(c1c(cn(C)n1)Cl)=O)CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15) |
| InChIKey | InChI | 1.03 | AEWMHZKRUKXXFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(Cl)c(n1)C(=O)NC2CCCC2 |
| SMILES | CACTVS | 3.385 | Cn1cc(Cl)c(n1)C(=O)NC2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)C(=O)NC2CCCC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(c(n1)C(=O)NC2CCCC2)Cl |
