1-(3-Chloropropyl)-1H-Pyrazole Hydrochloride - CAS 1255717-98-6
Catalog: |
BB055641 |
Product Name: |
1-(3-Chloropropyl)-1H-Pyrazole Hydrochloride |
CAS: |
1255717-98-6 |
Synonyms: |
1-(3-Chloropropyl)-1H-pyrazole hydrochloride; 1-(3-chloropropyl)pyrazole; hydrochloride; 1-(3-CHLOROPROPYL)-1H-PYRAZOLE HCL |
IUPAC Name: | 1-(3-chloropropyl)pyrazolehydrochloride |
Description: | 1-(3-Chloropropyl)-1H-Pyrazole Hydrochloride is used in the preparation of heteroaryl-carboxamides as histone demethylase inhibitors. |
Molecular Weight: | 181.06 |
Molecular Formula: | C6H9N2Cl·HCl |
Canonical SMILES: | C1=CN(N=C1)CCCCl.Cl |
InChI: | InChI=1S/C6H9ClN2.ClH/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,3,5H21H |
InChI Key: | INPITCVCAOUVFU-UHFFFAOYSA-N |
References: | Carceller, G., et al. PCT Int. Appl., 129 (2018). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2010129848-A2 | 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamides | 20090508 |
Complexity: | 77.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0221037 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0221037 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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