3-Nitro-1H-pyrazole-1-ethanol - CAS 956951-01-2
Catalog: |
BB041808 |
Product Name: |
3-Nitro-1H-pyrazole-1-ethanol |
CAS: |
956951-01-2 |
Synonyms: |
2-(3-nitro-1-pyrazolyl)ethanol; 2-(3-nitropyrazol-1-yl)ethanol |
IUPAC Name: | 2-(3-nitropyrazol-1-yl)ethanol |
Description: | 3-Nitro-1H-pyrazole-1-ethanol (CAS# 956951-01-2 ) is a useful research chemical. |
Molecular Weight: | 157.13 |
Molecular Formula: | C5H7N3O3 |
Canonical SMILES: | C1=CN(N=C1[N+](=O)[O-])CCO |
InChI: | InChI=1S/C5H7N3O3/c9-4-3-7-2-1-5(6-7)8(10)11/h1-2,9H,3-4H2 |
InChI Key: | ZNXOQNWQSFRXTL-UHFFFAOYSA-N |
Boiling Point: | 343.5±22.0 °C (760 mmHg) |
Density: | 1.53±0.1 g/cm3 (20 °C, 760 mmH g) |
MDL: | MFCD06804918 |
LogP: | 0.30680 |
Publication Number | Title | Priority Date |
US-2020017481-A1 | Hydantoin containing deoxyuridine triphosphatase inhibitors | 20161123 |
WO-2018098206-A1 | Hydantoin containing deoxyuridine triphosphatase inhibitors | 20161123 |
US-10858344-B2 | Hydantoin containing deoxyuridine triphosphatase inhibitors | 20161123 |
EP-3294742-A1 | New 5,8-dimethyl-9-phenyl-5,8-dihydro-6h | 20150513 |
EP-3294742-B1 | New (5,8-dimethyl-9-phenyl-5,8-dihydro-6h-pyrazolo[3,4-h)quinazolin-2-yl)-(1h-pyrazol-5-yl)-amines and theri derivatives as igf-1r/1r inhibitors. | 20150513 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.04874109 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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