1H-Pyrazole-4-carbonitrile - CAS 31108-57-3
Catalog: |
BB020802 |
Product Name: |
1H-Pyrazole-4-carbonitrile |
CAS: |
31108-57-3 |
Synonyms: |
1H-pyrazole-4-carbonitrile |
IUPAC Name: | 1H-pyrazole-4-carbonitrile |
Description: | 1H-Pyrazole-4-carbonitrile (CAS# 31108-57-3) is used to catalyze epoxidation of ethene by hydrogen peroixde. |
Molecular Weight: | 93.09 |
Molecular Formula: | C4H3N3 |
Canonical SMILES: | C1=C(C=NN1)C#N |
InChI: | InChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7) |
InChI Key: | NUGZBVBZIDWZAD-UHFFFAOYSA-N |
Boiling Point: | 317.4 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.28 g/cm3 |
MDL: | MFCD00040250 |
LogP: | 0.28138 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112574213-A | Synthesis method of pyrazolotriazine energetic compound | 20201211 |
WO-2021202936-A1 | Pyrazolylpropanamide compounds and uses thereof for treatment of prostate cancer | 20200402 |
WO-2021188778-A2 | Neuroactive steroids and their methods of use | 20200318 |
WO-2021173721-A1 | Selective androgen receptor degrader (sard) ligands and methods of use thereof | 20200225 |
KR-20210076693-A | Fused pyrimidine derivatives substituted with a nitrogen-containing heterocyclic ring and their pharmaceutical use | 20191216 |
PMID | Publication Date | Title | Journal |
22594255 | 20120501 | Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives | Acta poloniae pharmaceutica |
22199817 | 20111201 | 3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1H-pyrazole-4-carbonitrile | Acta crystallographica. Section E, Structure reports online |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 93.032697108 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 93.032697108 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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