1H-Pyrazole-4-sulfonyl chloride - CAS 288148-34-5
Catalog: |
BB019964 |
Product Name: |
1H-Pyrazole-4-sulfonyl chloride |
CAS: |
288148-34-5 |
Synonyms: |
1-methylpyrazole-4-sulfonyl chloride |
IUPAC Name: | 1-methylpyrazole-4-sulfonyl chloride |
Description: | 1H-Pyrazole-4-sulfonyl chloride (CAS# 288148-34-5) is used as a reagent in the preparation of benzoindazoles as glucocorticoid receptor modulators. |
Molecular Weight: | 166.59 |
Molecular Formula: | C3H3ClN2O2S |
Canonical SMILES: | CN1C=C(C=N1)S(=O)(=O)Cl |
InChI: | InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3 |
InChI Key: | RDAVKKQKMLINOH-UHFFFAOYSA-N |
Boiling Point: | 364.206 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.706 g/cm3 |
MDL: | MFCD04968667 |
LogP: | 1.42840 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021107901-A1 | Bicyclic amines as cdk2 inhibitors | 20191011 |
WO-2021072232-A1 | Bicyclic amines as cdk2 inhibitors | 20191011 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
WO-2021030537-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
US-2020347067-A1 | Tricyclic amine compounds as cdk2 inhibitors | 20190501 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.9760263 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.9760263 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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