4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one

C16H14FN3O — CID 43342169

IUPAC4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one
SMILESCn1c(-c2ccccc2)c(N)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c1-19-15(11-5-3-2-4-6-11)14(18)16(21)20(19)13-9-7-12(17)8-10-13/h2-10H,18H2,1H3
InChIKeyHWNFECUBFQJKCX-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.56
Rot. Bonds2

About 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one

4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one (PubChem CID 43342169) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one
PubChem CID43342169
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one
SMILESCn1c(-c2ccccc2)c(N)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c1-19-15(11-5-3-2-4-6-11)14(18)16(21)20(19)13-9-7-12(17)8-10-13/h2-10H,18H2,1H3
InChIKeyHWNFECUBFQJKCX-UHFFFAOYSA-N
XLogP2.56
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(4-aminophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 11747946
2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one
CID 134105852
4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one
CID 43163655
1-methyl-3-oxo-2,5-diphenylpyrazole-4-carboxylic acid
CID 170985188
4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994916
4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
CID 118337592
1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxylic acid
CID 58368347
4-amino-1-methyl-2-phenyl-5-propylpyrazol-3-one
CID 43163639
4-amino-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
CID 118332419
4-amino-5-(4-hydroxybutyl)-1-methyl-2-phenylpyrazol-3-one
CID 118332555
4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one
CID 63353689
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 171977842

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one (CID 43342169) is 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one is Cn1c(-c2ccccc2)c(N)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one?
The InChIKey is HWNFECUBFQJKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-19-15(11-5-3-2-4-6-11)14(18)16(21)20(19)13-9-7-12(17)8-10-13/h2-10H,18H2,1H3.
What are the key properties of 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one?
4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one has a molecular weight of 283.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one is sourced from PubChem (CID 43342169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).