4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one

C11H10F3N3O — CID 113363214

IUPAC4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cc(F)c(F)c(F)c2)c(=O)c1N
InChIInChI=1S/C11H10F3N3O/c1-2-8-10(15)11(18)17(16-8)5-3-6(12)9(14)7(13)4-5/h3-4,16H,2,15H2,1H3
InChIKeyVJZVACNFRGOEMC-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.73
Rot. Bonds2

About 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one

4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one (PubChem CID 113363214) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
PubChem CID113363214
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2cc(F)c(F)c(F)c2)c(=O)c1N
InChIInChI=1S/C11H10F3N3O/c1-2-8-10(15)11(18)17(16-8)5-3-6(12)9(14)7(13)4-5/h3-4,16H,2,15H2,1H3
InChIKeyVJZVACNFRGOEMC-UHFFFAOYSA-N
XLogP1.73
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995030
4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995200
4-amino-2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995000
4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363132
4-methyl-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 79194732
4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 103995167
4-amino-5-methyl-1-propyl-2-(3,4,5-trifluorophenyl)pyrazol-3-one
CID 79194183
4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995179
4-amino-2-(4-bromophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363176
4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one
CID 103995437
3-amino-6-ethyl-1-(4-fluorophenyl)pyridin-2-one
CID 105490770
4-amino-2-(3,5-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 103995029

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one (CID 113363214) is 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one is CCc1[nH]n(-c2cc(F)c(F)c(F)c2)c(=O)c1N.
What is the InChIKey of 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one?
The InChIKey is VJZVACNFRGOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-2-8-10(15)11(18)17(16-8)5-3-6(12)9(14)7(13)4-5/h3-4,16H,2,15H2,1H3.
What are the key properties of 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one?
4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one has a molecular weight of 257.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 113363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).