4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride

C10H10ClFN2 — CID 167516371

IUPAC4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride
SMILESCl.Fc1ccccc1Cc1cn[nH]c1
InChIInChI=1S/C10H9FN2.ClH/c11-10-4-2-1-3-9(10)5-8-6-12-13-7-8;/h1-4,6-7H,5H2,(H,12,13);1H
InChIKeyIGVLKISXTLVQQH-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.56
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride

4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride (PubChem CID 167516371) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride
PubChem CID167516371
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride
SMILESCl.Fc1ccccc1Cc1cn[nH]c1
InChIInChI=1S/C10H9FN2.ClH/c11-10-4-2-1-3-9(10)5-8-6-12-13-7-8;/h1-4,6-7H,5H2,(H,12,13);1H
InChIKeyIGVLKISXTLVQQH-UHFFFAOYSA-N
XLogP2.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride (CID 167516371) is 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride is Cl.Fc1ccccc1Cc1cn[nH]c1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride?
The InChIKey is IGVLKISXTLVQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2.ClH/c11-10-4-2-1-3-9(10)5-8-6-12-13-7-8;/h1-4,6-7H,5H2,(H,12,13);1H.
What are the key properties of 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride?
4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride has a molecular weight of 212.66 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride is sourced from PubChem (CID 167516371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).