N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide

C15H19FN4O — CID 82695813

IUPACN-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
SMILESCCc1cc(CC)n(CC(=O)Nc2cc(F)ccc2N)n1
InChIInChI=1S/C15H19FN4O/c1-3-11-8-12(4-2)20(19-11)9-15(21)18-14-7-10(16)5-6-13(14)17/h5-8H,3-4,9,17H2,1-2H3,(H,18,21)
InChIKeyPMUJVXBCAGDRJI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.37
Rot. Bonds5

About N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide

N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide (PubChem CID 82695813) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
PubChem CID82695813
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
SMILESCCc1cc(CC)n(CC(=O)Nc2cc(F)ccc2N)n1
InChIInChI=1S/C15H19FN4O/c1-3-11-8-12(4-2)20(19-11)9-15(21)18-14-7-10(16)5-6-13(14)17/h5-8H,3-4,9,17H2,1-2H3,(H,18,21)
InChIKeyPMUJVXBCAGDRJI-UHFFFAOYSA-N
XLogP2.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 55126633
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43612167
N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602687
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
1-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780467
ethyl 2-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 43628684
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43611926
N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43612136
2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 82698784
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide (CID 82695813) is N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide is CCc1cc(CC)n(CC(=O)Nc2cc(F)ccc2N)n1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
The InChIKey is PMUJVXBCAGDRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-11-8-12(4-2)20(19-11)9-15(21)18-14-7-10(16)5-6-13(14)17/h5-8H,3-4,9,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide has a molecular weight of 290.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 82695813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).