2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one

C17H15FN2O — CID 22769168

IUPAC2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(Cc2ccc(F)cc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-12-16(14-5-3-2-4-6-14)17(21)20(19-12)11-13-7-9-15(18)10-8-13/h2-10,19H,11H2,1H3
InChIKeyFMNAQYJFBDJUMA-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.34
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one

2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one (PubChem CID 22769168) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
PubChem CID22769168
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(Cc2ccc(F)cc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-12-16(14-5-3-2-4-6-14)17(21)20(19-12)11-13-7-9-15(18)10-8-13/h2-10,19H,11H2,1H3
InChIKeyFMNAQYJFBDJUMA-UHFFFAOYSA-N
XLogP3.34
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one (CID 22769168) is 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one is Cc1[nH]n(Cc2ccc(F)cc2)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one?
The InChIKey is FMNAQYJFBDJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-16(14-5-3-2-4-6-14)17(21)20(19-12)11-13-7-9-15(18)10-8-13/h2-10,19H,11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one?
2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one has a molecular weight of 282.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 22769168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).