1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride

C5H5Cl5N2 — CID 70567368

IUPAC1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride
SMILESCl.ClC(n1cccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C5H4Cl4N2.ClH/c6-4(5(7,8)9)11-3-1-2-10-11;/h1-4H;1H
InChIKeyOUVNNGTVQRZANB-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.41
Rot. Bonds1

About 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride

1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride (PubChem CID 70567368) has the molecular formula C5H5Cl5N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride.

Molecular Properties

Compound Name1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride
PubChem CID70567368
Molecular FormulaC5H5Cl5N2
Molecular Weight270.37 g/mol
Exact Mass267.89
IUPAC Name1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride
SMILESCl.ClC(n1cccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C5H4Cl4N2.ClH/c6-4(5(7,8)9)11-3-1-2-10-11;/h1-4H;1H
InChIKeyOUVNNGTVQRZANB-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.41
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 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride?
The IUPAC name of 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride (CID 70567368) is 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride.
What is the SMILES notation for 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride?
The canonical SMILES for 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride is Cl.ClC(n1cccn1)C(Cl)(Cl)Cl.
What is the InChIKey of 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride?
The InChIKey is OUVNNGTVQRZANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl4N2.ClH/c6-4(5(7,8)9)11-3-1-2-10-11;/h1-4H;1H.
What are the key properties of 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride?
1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride has a molecular weight of 270.37 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,2-tetrachloroethyl)pyrazole;hydrochloride is sourced from PubChem (CID 70567368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).