U2Z
Summary
Name: | [1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol |
Formula: | C12 H15 N3 O |
Formal charge: | 0 |
Formula weight: | 217.267 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | {1-[2-(aminomethyl)phenyl]-5-methyl-1H-pyrazol-3-yl}methanol |
OpenEye OEToolkits | 1.7.6 | [1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(cc(n1c2c(cccc2)CN)C)CO |
InChI | InChI | 1.03 | InChI=1S/C12H15N3O/c1-9-6-11(8-16)14-15(9)12-5-3-2-4-10(12)7-13/h2-6,16H,7-8,13H2,1H3 |
InChIKey | InChI | 1.03 | JEGHUHKDKMLZCL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CO)nn1c2ccccc2CN |
SMILES | CACTVS | 3.385 | Cc1cc(CO)nn1c2ccccc2CN |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nn1c2ccccc2CN)CO |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nn1c2ccccc2CN)CO |