4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride

C6H9Cl2FN2 — CID 126965018

IUPAC4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride
SMILESCc1nn(C)c(F)c1CCl.Cl
InChIInChI=1S/C6H8ClFN2.ClH/c1-4-5(3-7)6(8)10(2)9-4;/h3H2,1-2H3;1H
InChIKeyLAOHIFPLQPGWSD-UHFFFAOYSA-N
MW199.06 g/mol
LogP2.03
Rot. Bonds1

About 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride

4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride (PubChem CID 126965018) has the molecular formula C6H9Cl2FN2 and a molecular weight of 199.06 g/mol. Its IUPAC name is 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride
PubChem CID126965018
Molecular FormulaC6H9Cl2FN2
Molecular Weight199.06 g/mol
Exact Mass198.01
IUPAC Name4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride
SMILESCc1nn(C)c(F)c1CCl.Cl
InChIInChI=1S/C6H8ClFN2.ClH/c1-4-5(3-7)6(8)10(2)9-4;/h3H2,1-2H3;1H
InChIKeyLAOHIFPLQPGWSD-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride (CID 126965018) is 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride is Cc1nn(C)c(F)c1CCl.Cl.
What is the InChIKey of 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride?
The InChIKey is LAOHIFPLQPGWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2.ClH/c1-4-5(3-7)6(8)10(2)9-4;/h3H2,1-2H3;1H.
What are the key properties of 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride?
4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride has a molecular weight of 199.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole;hydrochloride is sourced from PubChem (CID 126965018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).