| CAS Number | 23585-50-4 |
| Catalog Number | AG00BTLG(AGN-PC-0QZRSM) |
| Chemical Name | 1-(1H-Pyrazol-3-yl)ethanol |
| IUPAC Name | 1-(1H-pyrazol-5-yl)ethanol |
| InChI | InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7) |
| InChI Key | CABHXTNYNGUYFF-UHFFFAOYSA-N |
| MDL Number | MFCD12814180 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | CC(C1=NNC=C1)O |
| Synonyms | 1-(1H-pyrazol-3-yl)ethan-1-ol,
23585-50-4,
1-(1H-Pyrazol-3-yl)ethanol,
(1S)-1-(1H-pyrazol-3-yl)ethan-1-ol,
3-(1-Hydroxy-ethyl)-pyrazol,
1344956-30-4,
AC1Q2BUF,
1H-Pyrazole-3-methanol, alpha-methyl- (9CI),
SCHEMBL2555709,
CTK6A4678,
CABHXTNYNGUYFF-UHFFFAOYSA-N,
AKOS010196769,
MCULE-4788689959,
NE39055,
RP19057,
EN300-59987,
Z1198107479,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number