4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one

C12H14FN3O — CID 43163655

IUPAC4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one
SMILESCCc1c(N)c(=O)n(-c2ccc(F)cc2)n1C
InChIInChI=1S/C12H14FN3O/c1-3-10-11(14)12(17)16(15(10)2)9-6-4-8(13)5-7-9/h4-7H,3,14H2,1-2H3
InChIKeySTFDHKFEDWTVQJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.46
Rot. Bonds2

About 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one

4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one (PubChem CID 43163655) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one
PubChem CID43163655
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one
SMILESCCc1c(N)c(=O)n(-c2ccc(F)cc2)n1C
InChIInChI=1S/C12H14FN3O/c1-3-10-11(14)12(17)16(15(10)2)9-6-4-8(13)5-7-9/h4-7H,3,14H2,1-2H3
InChIKeySTFDHKFEDWTVQJ-UHFFFAOYSA-N
XLogP1.46
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 43342169
ethyl 3-(bromomethyl)-1-(4-fluorophenyl)-2-methyl-5-oxopyrazole-4-carboxylate
CID 66767121
4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one
CID 63353689
4-amino-5-(2-hydroxypropyl)-1-methyl-2-phenylpyrazol-3-one
CID 118337592
4-amino-5-(4-hydroxybutyl)-1-methyl-2-phenylpyrazol-3-one
CID 118332555
4-amino-2-(3,4-dichlorophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272735
3-amino-6-ethyl-1-(4-fluorophenyl)pyridin-2-one
CID 105490770
1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxylic acid
CID 58368347
4-amino-2-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)-1-propylpyrazol-3-one
CID 79129275
5-ethyl-3-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 174964829
4-amino-5-ethyl-2-(3-methylphenyl)-1-propylpyrazol-3-one
CID 61271001
4-amino-2-(3-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272953

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one?
The IUPAC name of 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one (CID 43163655) is 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one?
The canonical SMILES for 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one is CCc1c(N)c(=O)n(-c2ccc(F)cc2)n1C.
What is the InChIKey of 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one?
The InChIKey is STFDHKFEDWTVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-10-11(14)12(17)16(15(10)2)9-6-4-8(13)5-7-9/h4-7H,3,14H2,1-2H3.
What are the key properties of 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one?
4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one has a molecular weight of 235.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(4-fluorophenyl)-1-methylpyrazol-3-one is sourced from PubChem (CID 43163655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).