| CAS Number | 1052564-96-1 |
| Catalog Number | AG01A7PN(AGN-PC-0WO9N9) |
| Chemical Name | 1-[(oxolan-3-yl)methyl]-1H-pyrazol-5-amine |
| IUPAC Name | 2-(oxolan-3-ylmethyl)pyrazol-3-amine |
| InChI | InChI=1S/C8H13N3O/c9-8-1-3-10-11(8)5-7-2-4-12-6-7/h1,3,7H,2,4-6,9H2 |
| InChI Key | ULUVRBKBIJMHJF-UHFFFAOYSA-N |
| MDL Number | MFCD09730373 |
| Molecular Formula | C8H13N3O |
| Molecular Weight | 167.2083 |
| SMILES | NC1N(CC2COCC2)N=CC=1 |
| Synonyms | 1-(oxolan-3-ylmethyl)-1H-pyrazol-5-amine,
1052564-96-1,
1H-Pyrazol-5-amine, 1-[(tetrahydro-3-furanyl)methyl]-,
AC1Q52CI,
CTK7E0285,
AKOS000142069,
AKOS022219587,
MCULE-6016348923,
NE28929,
EN300-59448,
1-[(oxolan-3-yl)methyl]-1H-pyrazol-5-amine,
Z1262252948,
1-((tetrahydrofuran-3-yl)methyl)-1H-pyrazol-5-amine,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.212g/mol |
| Monoisotopic Mass | 167.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number