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

C14H13FN4O — CID 59707153

IUPAC2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3cccc(F)c3)c2=O)n[nH]1
InChIInChI=1S/C14H13FN4O/c1-8-6-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-4-10(15)7-11/h3-7,18H,1-2H3,(H,16,17)
InChIKeyRVUOYVMWXSXOLA-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.31
Rot. Bonds2

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

2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one (PubChem CID 59707153) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
PubChem CID59707153
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3cccc(F)c3)c2=O)n[nH]1
InChIInChI=1S/C14H13FN4O/c1-8-6-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-4-10(15)7-11/h3-7,18H,1-2H3,(H,16,17)
InChIKeyRVUOYVMWXSXOLA-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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Related Compounds

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CID 1473355
5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
CID 1483050
N'-[(E)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135444053
1,1'-(Diphenyl)-3,3'-dimethyl-5-hydroxy[4,5']pyrazol
CID 1483047
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 49670386
6-fluoro-3-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
CID 166439575
3-Hydroxy-5-methyl-4-(3'-methylpyrazol-5'-yl)pyrazole
CID 2818113
3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 10703885
4,6-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-2(1H)-one
CID 973103
N-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865065
N-(2,5-difluorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950815
N-(2,5-difluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-
CID 49670388

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one (CID 59707153) is 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one is Cc1cc(-c2c(C)[nH]n(-c3cccc(F)c3)c2=O)n[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
The InChIKey is RVUOYVMWXSXOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-6-12(17-16-8)13-9(2)18-19(14(13)20)11-5-3-4-10(15)7-11/h3-7,18H,1-2H3,(H,16,17).
What are the key properties of 2-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one?
2-(3-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-(3-fluorophenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 59707153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).