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

C16H10F2N2O — CID 67709045

IUPAC(4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2O/c17-12-5-1-10(2-6-12)15-14(9-19-20-15)16(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)
InChIKeyVZKORSRCMZLMIA-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.59
Rot. Bonds3

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

(4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 67709045) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID67709045
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H10F2N2O/c17-12-5-1-10(2-6-12)15-14(9-19-20-15)16(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)
InChIKeyVZKORSRCMZLMIA-UHFFFAOYSA-N
XLogP3.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 67709045) is (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is O=C(c1ccc(F)cc1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is VZKORSRCMZLMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-12-5-1-10(2-6-12)15-14(9-19-20-15)16(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20).
What are the key properties of (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
(4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 284.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 67709045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).