2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one

C14H13FN4O — CID 59707150

IUPAC2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)n[nH]1
InChIInChI=1S/C14H13FN4O/c1-8-7-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H,16,17)
InChIKeyAKWRJDOYMVGJDM-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.31
Rot. Bonds2

About 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one

2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one (PubChem CID 59707150) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
PubChem CID59707150
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)n[nH]1
InChIInChI=1S/C14H13FN4O/c1-8-7-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H,16,17)
InChIKeyAKWRJDOYMVGJDM-UHFFFAOYSA-N
XLogP2.31
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one (CID 59707150) is 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one is Cc1cc(-c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The InChIKey is AKWRJDOYMVGJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-7-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one has a molecular weight of 272.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 59707150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).