1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

C14H16FN3O — CID 82685309

IUPAC1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H16FN3O/c1-3-18-11(6-9(2)17-18)8-14(19)12-7-10(15)4-5-13(12)16/h4-7H,3,8,16H2,1-2H3
InChIKeyKVKHLELBCAJSAU-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.36
Rot. Bonds4

About 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone

1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (PubChem CID 82685309) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
PubChem CID82685309
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
SMILESCCn1nc(C)cc1CC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H16FN3O/c1-3-18-11(6-9(2)17-18)8-14(19)12-7-10(15)4-5-13(12)16/h4-7H,3,8,16H2,1-2H3
InChIKeyKVKHLELBCAJSAU-UHFFFAOYSA-N
XLogP2.36
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644
1-(5-bromo-2-iodophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 114032476
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
CID 102811780
1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 107996478
2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115779676
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115779560
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
4-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfinyl]-2-fluoroaniline
CID 81191250
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone (CID 82685309) is 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is CCn1nc(C)cc1CC(=O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
The InChIKey is KVKHLELBCAJSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-18-11(6-9(2)17-18)8-14(19)12-7-10(15)4-5-13(12)16/h4-7H,3,8,16H2,1-2H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone?
1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone has a molecular weight of 261.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 82685309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).