UQS
Summary
Name: | N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine |
Formula: | C10 H10 F N3 |
Formal charge: | 0 |
Formula weight: | 191.205 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine |
OpenEye OEToolkits | 2.0.7 | ~{N}-[(2-fluorophenyl)methyl]-1~{H}-pyrazol-4-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2ncc(NCc1ccccc1F)c2 |
InChI | InChI | 1.03 | InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14) |
InChIKey | InChI | 1.03 | PDSIYANAENEXNZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1CNc2c[nH]nc2 |
SMILES | CACTVS | 3.385 | Fc1ccccc1CNc2c[nH]nc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c[nH]nc2)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c[nH]nc2)F |