4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride

C7H11Cl3N2 — CID 155822235

IUPAC4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride
SMILESCCc1nn(C)c(CCl)c1Cl.Cl
InChIInChI=1S/C7H10Cl2N2.ClH/c1-3-5-7(9)6(4-8)11(2)10-5;/h3-4H2,1-2H3;1H
InChIKeyYXJBDXPLKAZDIE-UHFFFAOYSA-N
MW229.54 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride

4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride (PubChem CID 155822235) has the molecular formula C7H11Cl3N2 and a molecular weight of 229.54 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride
PubChem CID155822235
Molecular FormulaC7H11Cl3N2
Molecular Weight229.54 g/mol
Exact Mass228.00
IUPAC Name4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride
SMILESCCc1nn(C)c(CCl)c1Cl.Cl
InChIInChI=1S/C7H10Cl2N2.ClH/c1-3-5-7(9)6(4-8)11(2)10-5;/h3-4H2,1-2H3;1H
InChIKeyYXJBDXPLKAZDIE-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
5-chloro-3-ethyl-1-methyl-1H-pyrazole
CID 12035666
5-Chloro-1-methyl-3-propyl-1H-pyrazole
CID 12035667
4-Chloro-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole
CID 178343855
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
5-Chloro-3-(1-chloroethyl)-1-methyl-1h-pyrazole
CID 101781507
5-Chloro-3-(1-chloroethyl)-1-ethylpyrazole
CID 101781508
4-Chloro-1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole
CID 14770656
4-Chloro-1,3-dimethyl-5-(trifluoromethyl)pyrazole
CID 20616026
4-Chloro-5-(chloromethyl)-1,3-dimethylpyrazole
CID 21185206
5-Tert-butyl-4-chloro-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157460
4-Chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59833770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride?
The IUPAC name of 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride (CID 155822235) is 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride?
The canonical SMILES for 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride is CCc1nn(C)c(CCl)c1Cl.Cl.
What is the InChIKey of 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride?
The InChIKey is YXJBDXPLKAZDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2.ClH/c1-3-5-7(9)6(4-8)11(2)10-5;/h3-4H2,1-2H3;1H.
What are the key properties of 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride?
4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride has a molecular weight of 229.54 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-3-ethyl-1-methylpyrazole;hydrochloride is sourced from PubChem (CID 155822235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).