4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

C17H20FN5O2 — CID 86286910

IUPAC4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCc1cc(N)n(CC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1
InChIInChI=1S/C17H20FN5O2/c1-12-8-15(19)23(20-12)11-17(25)22-7-6-21(16(24)10-22)9-13-2-4-14(18)5-3-13/h2-5,8H,6-7,9-11,19H2,1H3
InChIKeyXTPVNLVOLKNPHP-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.78
Rot. Bonds4

About 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 86286910) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID86286910
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCc1cc(N)n(CC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1
InChIInChI=1S/C17H20FN5O2/c1-12-8-15(19)23(20-12)11-17(25)22-7-6-21(16(24)10-22)9-13-2-4-14(18)5-3-13/h2-5,8H,6-7,9-11,19H2,1H3
InChIKeyXTPVNLVOLKNPHP-UHFFFAOYSA-N
XLogP0.78
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
1-[(4-methylphenyl)methyl]-4-[2-(2,3,4-trifluorophenyl)acetyl]piperazin-2-one
CID 70733594
4-(5-fluoropyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 91837307
1-[(4-fluorophenyl)methyl]-4-[3-[(2S)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97197113
4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 47000283
4-[2-(5-aminotetrazol-1-yl)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 86284780
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
2-(5-amino-3-methylpyrazol-1-yl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 154570049
2-(5-amino-3-methylpyrazol-1-yl)-1-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 125155908
4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 56743160
4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 154838277
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 86286910) is 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is Cc1cc(N)n(CC(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)n1.
What is the InChIKey of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is XTPVNLVOLKNPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-12-8-15(19)23(20-12)11-17(25)22-7-6-21(16(24)10-22)9-13-2-4-14(18)5-3-13/h2-5,8H,6-7,9-11,19H2,1H3.
What are the key properties of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 345.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 86286910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).