| CAS Number | 1007488-29-0 |
| Catalog Number | AG00924M(AGN-PC-0WB612) |
| Chemical Name | (1-Ethyl-1H-pyrazol-5-yl)methanol |
| IUPAC Name | (2-ethylpyrazol-3-yl)methanol |
| InChI | InChI=1S/C6H10N2O/c1-2-8-6(5-9)3-4-7-8/h3-4,9H,2,5H2,1H3 |
| InChI Key | XGSHTTWILBTVCJ-UHFFFAOYSA-N |
| MDL Number | MFCD08701089 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | N1(CC)N=CC=C1CO |
| Synonyms | (1-ethyl-1H-pyrazol-5-yl)methanol,
1007488-29-0,
(1-ethylpyrazol-5-yl)methan-1-ol,
1-ethyl-1H-Pyrazole-5-methanol,
SCHEMBL859734,
XGSHTTWILBTVCJ-UHFFFAOYSA-N,
ALBB-018094,
1H-pyrazole-5-methanol, 1-ethyl-,
MFCD08701089,
SBB025126,
STK352068,
ZINC12396636,
AKOS003673635,
MCULE-3181317210,
AB0037808,
ST45134281,
Y5139,
Y-4661,
C6H10N2O,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number