2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one

C10H9FN2O — CID 702012

IUPAC2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C10H9FN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeyVJVFAPBCFDWAEX-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.94
Rot. Bonds1

About 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one

2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 702012) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID702012
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C10H9FN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3
InChIKeyVJVFAPBCFDWAEX-UHFFFAOYSA-N
XLogP1.94
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one (CID 702012) is 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is VJVFAPBCFDWAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one?
2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 192.19 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 702012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).