4-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride - CAS 154312-86-4
Catalog: |
BB011000 |
Product Name: |
4-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride |
CAS: |
154312-86-4 |
Synonyms: |
4-(chloromethyl)-1-methylpyrazole;hydrochloride |
IUPAC Name: | 4-(chloromethyl)-1-methylpyrazole;hydrochloride |
Description: | 4-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride (CAS# 154312-86-4) is a useful research chemical. |
Molecular Weight: | 167.04 |
Molecular Formula: | C5H8Cl2N2 |
Canonical SMILES: | CN1C=C(C=N1)CCl.Cl |
InChI: | InChI=1S/C5H7ClN2.ClH/c1-8-4-5(2-6)3-7-8;/h3-4H,2H2,1H3;1H |
InChI Key: | DDGPQOYGZVAPAN-UHFFFAOYSA-N |
LogP: | 1.96090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020162471-A1 | Pyridone derivative | 20190208 |
WO-2019145360-A1 | Novel compounds for the treatment of parasitic infections | 20180124 |
EP-3743419-A1 | Novel compounds for the treatment of parasitic infections | 20180124 |
US-2021047299-A1 | Novel compounds for the treatment of parasitic infections | 20180124 |
TW-201938164-A | Novel heterocyclic compounds | 20180108 |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0064537 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0064537 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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