| CAS Number | 1216165-35-3 |
| Catalog Number | AG01B648 |
| Chemical Name | 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-amine |
| IUPAC Name | 1-(oxan-2-yl)pyrazol-4-amine |
| InChI | InChI=1S/C8H13N3O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4,9H2 |
| InChI Key | WFVIVFUPBWZTNO-UHFFFAOYSA-N |
| MDL Number | MFCD13188216 |
| Molecular Formula | C8H13N3O |
| Molecular Weight | 167.2083 |
| SMILES | NC1=CN(C2OCCCC2)N=C1 |
| Synonyms | 1216165-35-3,
1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-amine,
1H-Pyrazol-4-amine, 1-(tetrahydro-2H-pyran-2-yl)-,
SCHEMBL16353569,
1-(oxan-2-yl)-1H-pyrazol-4-amine,
FT-0728378,
|
| 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 | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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