| CAS Number | 153566-21-3 |
| Catalog Number | AG01AJNL |
| Chemical Name | 5-(Adamantan-1-yl)-1H-pyrazol-3-amine |
| IUPAC Name | 5-(1-adamantyl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C13H19N3/c14-12-4-11(15-16-12)13-5-8-1-9(6-13)3-10(2-8)7-13/h4,8-10H,1-3,5-7H2,(H3,14,15,16) |
| InChI Key | QQDOAENFCVMKSC-UHFFFAOYSA-N |
| MDL Number | MFCD19686284 |
| Molecular Formula | C13H19N3 |
| Molecular Weight | 217.3101 |
| SMILES | NC1=NNC(C23CC4CC(C3)CC(C4)C2)=C1 |
| Synonyms | 5-(adamantan-1-yl)-1H-pyrazol-3-amine,
153566-21-3,
3-(1-ADAMANTYL)-1H-PYRAZOL-5-AMINE,
3-adamantyl-5-aminopyrazole,
SCHEMBL9030953,
QQDOAENFCVMKSC-UHFFFAOYSA-N,
ZINC19510807,
AKOS000194176,
AKOS023850138,
MCULE-8781963780,
NE59725,
EN300-81488,
Z1505387427,
5-(1-adamantyl)-1H-pyrazol-3-amine,
CID11127715,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.316g/mol |
| Monoisotopic Mass | 217.158g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number