4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride

C6H9Cl2FN2 — CID 126964998

IUPAC4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride
SMILESCl.FCCn1cc(CCl)cn1
InChIInChI=1S/C6H8ClFN2.ClH/c7-3-6-4-9-10(5-6)2-1-8;/h4-5H,1-3H2;1H
InChIKeyLYCJGZZIWXRPMG-UHFFFAOYSA-N
MW199.06 g/mol
LogP2.01
Rot. Bonds3

About 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride

4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride (PubChem CID 126964998) has the molecular formula C6H9Cl2FN2 and a molecular weight of 199.06 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride
PubChem CID126964998
Molecular FormulaC6H9Cl2FN2
Molecular Weight199.06 g/mol
Exact Mass198.01
IUPAC Name4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride
SMILESCl.FCCn1cc(CCl)cn1
InChIInChI=1S/C6H8ClFN2.ClH/c7-3-6-4-9-10(5-6)2-1-8;/h4-5H,1-3H2;1H
InChIKeyLYCJGZZIWXRPMG-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 52.01
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-(chloromethyl)-1-(2-ethoxyethyl)pyrazole
CID 62729841
[1-(2-chloroethyl)pyrazol-4-yl]methanol
CID 4711793
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126968198
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
CID 104567003
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
CID 122168259
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122166848
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
4-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-methyltriazole
CID 107053764
1-(2-chloroethyl)-4-[[1-(2-chloroethyl)pyrazol-4-yl]methoxymethyl]pyrazole
CID 125492172

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride (CID 126964998) is 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride is Cl.FCCn1cc(CCl)cn1.
What is the InChIKey of 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride?
The InChIKey is LYCJGZZIWXRPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2.ClH/c7-3-6-4-9-10(5-6)2-1-8;/h4-5H,1-3H2;1H.
What are the key properties of 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride?
4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride has a molecular weight of 199.06 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride is sourced from PubChem (CID 126964998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).