5-(3-fluorophenyl)-1H-pyrazole;hydrochloride

C9H8ClFN2 — CID 126812234

IUPAC5-(3-fluorophenyl)-1H-pyrazole;hydrochloride
SMILESCl.Fc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C9H7FN2.ClH/c10-8-3-1-2-7(6-8)9-4-5-11-12-9;/h1-6H,(H,11,12);1H
InChIKeyBAPXOFLYPHWDHU-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.64
Rot. Bonds1

About 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride

5-(3-fluorophenyl)-1H-pyrazole;hydrochloride (PubChem CID 126812234) has the molecular formula C9H8ClFN2 and a molecular weight of 198.63 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1H-pyrazole;hydrochloride
PubChem CID126812234
Molecular FormulaC9H8ClFN2
Molecular Weight198.63 g/mol
Exact Mass198.04
IUPAC Name5-(3-fluorophenyl)-1H-pyrazole;hydrochloride
SMILESCl.Fc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C9H7FN2.ClH/c10-8-3-1-2-7(6-8)9-4-5-11-12-9;/h1-6H,(H,11,12);1H
InChIKeyBAPXOFLYPHWDHU-UHFFFAOYSA-N
XLogP2.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride?
The IUPAC name of 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride (CID 126812234) is 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride is Cl.Fc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride?
The InChIKey is BAPXOFLYPHWDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2.ClH/c10-8-3-1-2-7(6-8)9-4-5-11-12-9;/h1-6H,(H,11,12);1H.
What are the key properties of 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride?
5-(3-fluorophenyl)-1H-pyrazole;hydrochloride has a molecular weight of 198.63 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 126812234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).