50C
Summary
Name: | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-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 | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine |
OpenEye OEToolkits | 1.9.2 | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2c(ccc(c1c(C)c(N)nn1)c2)F |
InChI | InChI | 1.03 | InChI=1S/C10H10FN3/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14) |
InChIKey | InChI | 1.03 | SNBMBGHZPHKNIS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(N)[nH]nc1c2ccc(F)cc2 |
SMILES | CACTVS | 3.385 | Cc1c(N)[nH]nc1c2ccc(F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(n[nH]c1N)c2ccc(cc2)F |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(n[nH]c1N)c2ccc(cc2)F |