N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide

C17H20FN5O2 — CID 146135268

IUPACN-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C17H20FN5O2/c1-13(24)20-14-10-19-23(11-14)12-17(25)22-8-6-21(7-9-22)16-5-3-2-4-15(16)18/h2-5,10-11H,6-9,12H2,1H3,(H,20,24)
InChIKeyYMQVRCJQQXHXSG-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.33
Rot. Bonds4

About N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide

N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 146135268) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID146135268
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C17H20FN5O2/c1-13(24)20-14-10-19-23(11-14)12-17(25)22-8-6-21(7-9-22)16-5-3-2-4-15(16)18/h2-5,10-11H,6-9,12H2,1H3,(H,20,24)
InChIKeyYMQVRCJQQXHXSG-UHFFFAOYSA-N
XLogP1.33
TPSA70.47 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile
CID 95233026
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrimidin-2-one
CID 132971329
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 9483749
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739
4-oxo-N-[1-[2-oxo-2-(4-phenyl-1,4-diazepan-1-yl)ethyl]pyrazol-4-yl]-4-phenylbutanamide
CID 42170925

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (CID 146135268) is N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is CC(=O)Nc1cnn(CC(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is YMQVRCJQQXHXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-13(24)20-14-10-19-23(11-14)12-17(25)22-8-6-21(7-9-22)16-5-3-2-4-15(16)18/h2-5,10-11H,6-9,12H2,1H3,(H,20,24).
What are the key properties of N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 146135268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).