1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone

C11H9FN2O — CID 59151468

IUPAC1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H9FN2O/c1-7(15)10-6-11(14-13-10)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)
InChIKeyRPZWSRPXCZAVHG-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.42
Rot. Bonds2

About 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone

1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone (PubChem CID 59151468) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone
PubChem CID59151468
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H9FN2O/c1-7(15)10-6-11(14-13-10)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)
InChIKeyRPZWSRPXCZAVHG-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone (CID 59151468) is 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone?
The InChIKey is RPZWSRPXCZAVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-7(15)10-6-11(14-13-10)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14).
What are the key properties of 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone?
1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone has a molecular weight of 204.20 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 59151468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).