5-[(4-fluorophenyl)methyl]-1-methylpyrazole

C11H11FN2 — CID 102523560

IUPAC5-[(4-fluorophenyl)methyl]-1-methylpyrazole
SMILESCn1nccc1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2/c1-14-11(6-7-13-14)8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyQSCUJIIPYOCWAT-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.15
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]-1-methylpyrazole

5-[(4-fluorophenyl)methyl]-1-methylpyrazole (PubChem CID 102523560) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-1-methylpyrazole
PubChem CID102523560
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name5-[(4-fluorophenyl)methyl]-1-methylpyrazole
SMILESCn1nccc1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2/c1-14-11(6-7-13-14)8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyQSCUJIIPYOCWAT-UHFFFAOYSA-N
XLogP2.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-1-methylpyrazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-1-methylpyrazole (CID 102523560) is 5-[(4-fluorophenyl)methyl]-1-methylpyrazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-1-methylpyrazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-1-methylpyrazole is Cn1nccc1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-1-methylpyrazole?
The InChIKey is QSCUJIIPYOCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-14-11(6-7-13-14)8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-1-methylpyrazole?
5-[(4-fluorophenyl)methyl]-1-methylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-1-methylpyrazole is sourced from PubChem (CID 102523560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).