5-(2-fluoro-3-methylphenyl)-1H-pyrazole

C10H9FN2 — CID 83808322

IUPAC5-(2-fluoro-3-methylphenyl)-1H-pyrazole
SMILESCc1cccc(-c2ccn[nH]2)c1F
InChIInChI=1S/C10H9FN2/c1-7-3-2-4-8(10(7)11)9-5-6-12-13-9/h2-6H,1H3,(H,12,13)
InChIKeyXYPKHWITXMENFD-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.52
Rot. Bonds1

About 5-(2-fluoro-3-methylphenyl)-1H-pyrazole

5-(2-fluoro-3-methylphenyl)-1H-pyrazole (PubChem CID 83808322) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenyl)-1H-pyrazole
PubChem CID83808322
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name5-(2-fluoro-3-methylphenyl)-1H-pyrazole
SMILESCc1cccc(-c2ccn[nH]2)c1F
InChIInChI=1S/C10H9FN2/c1-7-3-2-4-8(10(7)11)9-5-6-12-13-9/h2-6H,1H3,(H,12,13)
InChIKeyXYPKHWITXMENFD-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-(2-fluoro-3-methylphenyl)-1H-pyrazole (CID 83808322) is 5-(2-fluoro-3-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-fluoro-3-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-fluoro-3-methylphenyl)-1H-pyrazole is Cc1cccc(-c2ccn[nH]2)c1F.
What is the InChIKey of 5-(2-fluoro-3-methylphenyl)-1H-pyrazole?
The InChIKey is XYPKHWITXMENFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-7-3-2-4-8(10(7)11)9-5-6-12-13-9/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(2-fluoro-3-methylphenyl)-1H-pyrazole?
5-(2-fluoro-3-methylphenyl)-1H-pyrazole has a molecular weight of 176.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 83808322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).