| CAS Number | 75702-84-0 |
| Catalog Number | AG005IU5(AGN-PC-00KHGI) |
| Chemical Name | 1H-Pyrazol-4-ol, 1-(1-methylethyl)- |
| IUPAC Name | 1-propan-2-ylpyrazol-4-ol |
| InChI | InChI=1S/C6H10N2O/c1-5(2)8-4-6(9)3-7-8/h3-5,9H,1-2H3 |
| InChI Key | GTVJTOUCOLLRGC-UHFFFAOYSA-N |
| MDL Number | MFCD23111111 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | OC1=CN(C(C)C)N=C1 |
| Synonyms | 1-isopropyl-1H-pyrazol-4-ol,
75702-84-0,
1-(Propan-2-yl)-1H-pyrazol-4-ol,
1H-Pyrazol-4-ol, 1-(1-methylethyl)-,
1-propan-2-ylpyrazol-4-ol,
4-hydroxy-1-isopropylpyrazole,
1-isopropyl-4-hydroxy-pyrazole,
SCHEMBL10921987,
CTK2G8729,
DTXSID30515314,
1-(isopropyl)-1H-pyrazol-4-ol,
GTVJTOUCOLLRGC-UHFFFAOYSA-N,
ZINC39372747,
AKOS025142142,
A1-08153,
F8886-4884,
Z2467454557,
|
| Complexity | 95.1 |
| 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 | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number