4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one

C16H15FN4O — CID 118336954

IUPAC4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one
SMILESCc1cccc(-n2c(=O)c(N)c(-c3ccc(F)cc3)n2C)n1
InChIInChI=1S/C16H15FN4O/c1-10-4-3-5-13(19-10)21-16(22)14(18)15(20(21)2)11-6-8-12(17)9-7-11/h3-9H,18H2,1-2H3
InChIKeyXNEBREAKHYUVSV-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.27
Rot. Bonds2

About 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one

4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one (PubChem CID 118336954) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one
PubChem CID118336954
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one
SMILESCc1cccc(-n2c(=O)c(N)c(-c3ccc(F)cc3)n2C)n1
InChIInChI=1S/C16H15FN4O/c1-10-4-3-5-13(19-10)21-16(22)14(18)15(20(21)2)11-6-8-12(17)9-7-11/h3-9H,18H2,1-2H3
InChIKeyXNEBREAKHYUVSV-UHFFFAOYSA-N
XLogP2.27
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
2-amino-4-(cyclohexylmethyl)-6-(4-fluorophenyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45270308
3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol
CID 51036475
3-Phenyl-1-pyridin-2-yl-1H-pyrazol-5-ol
CID 17609478
5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51037216
4-[(6-methylpyridin-2-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
CID 2962126
5-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 156020090
D 13223 (Flupirtine Metabolite)
CID 185408
2-Amino-3-acetylamino-6-(p-fluorobenzylamino)pyridine
CID 185409
Urea, 1-(4-antipyrinyl)-3-(2-(6-methylpyridyl))-2-thio-
CID 3057094
Urea, 1-(4-antipyrinyl)-3-(4,6-dimethylpyrid-2-yl)-2-thio-
CID 3057585
(4R)-4-[(6-methyl-2-pyridinyl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
CID 2013932

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one?
The IUPAC name of 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one (CID 118336954) is 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one.
What is the SMILES notation for 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one?
The canonical SMILES for 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one is Cc1cccc(-n2c(=O)c(N)c(-c3ccc(F)cc3)n2C)n1.
What is the InChIKey of 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one?
The InChIKey is XNEBREAKHYUVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-10-4-3-5-13(19-10)21-16(22)14(18)15(20(21)2)11-6-8-12(17)9-7-11/h3-9H,18H2,1-2H3.
What are the key properties of 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one?
4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one has a molecular weight of 298.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-fluorophenyl)-1-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-one is sourced from PubChem (CID 118336954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).