4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one

C13H16FN3O — CID 113363132

IUPAC4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1N
InChIInChI=1S/C13H16FN3O/c1-8(2)7-11-12(15)13(18)17(16-11)10-5-3-9(14)4-6-10/h3-6,8,16H,7,15H2,1-2H3
InChIKeyLKWWQMXEQKDIKM-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.09
Rot. Bonds3

About 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one

4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one (PubChem CID 113363132) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
PubChem CID113363132
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1N
InChIInChI=1S/C13H16FN3O/c1-8(2)7-11-12(15)13(18)17(16-11)10-5-3-9(14)4-6-10/h3-6,8,16H,7,15H2,1-2H3
InChIKeyLKWWQMXEQKDIKM-UHFFFAOYSA-N
XLogP2.09
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(4-bromophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363176
4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one
CID 103294629
4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995200
4-amino-2-tert-butyl-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 103994955
4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994916
2-(4-fluorophenyl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one
CID 17168667
4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 103995167
4-amino-5-(2-methylpropyl)-2-pentan-3-yl-1H-pyrazol-3-one
CID 103995142
4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 113363214
1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one
CID 158427364
4-amino-2-(2-hydroxycyclohexyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 103995227
2-(4-fluorophenyl)-4-(2-methylpropyl)pyridazin-3-one
CID 157373271

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one (CID 113363132) is 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one is CC(C)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1N.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
The InChIKey is LKWWQMXEQKDIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(2)7-11-12(15)13(18)17(16-11)10-5-3-9(14)4-6-10/h3-6,8,16H,7,15H2,1-2H3.
What are the key properties of 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one has a molecular weight of 249.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 113363132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).