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

C16H11FN2O — CID 15451927

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O/c17-13-8-6-11(7-9-13)15-14(10-18-19-15)16(20)12-4-2-1-3-5-12/h1-10H,(H,18,19)
InChIKeyRISWEVAIRAHTCX-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.45
Rot. Bonds3

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

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone (PubChem CID 15451927) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone
PubChem CID15451927
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H11FN2O/c17-13-8-6-11(7-9-13)15-14(10-18-19-15)16(20)12-4-2-1-3-5-12/h1-10H,(H,18,19)
InChIKeyRISWEVAIRAHTCX-UHFFFAOYSA-N
XLogP3.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone (CID 15451927) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The InChIKey is RISWEVAIRAHTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-13-8-6-11(7-9-13)15-14(10-18-19-15)16(20)12-4-2-1-3-5-12/h1-10H,(H,18,19).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone has a molecular weight of 266.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 15451927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).