4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C16H19FN4O2 — CID 126796157

IUPAC4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCOc1ccc(F)c(CN2CCN(c3cnn(C)c3)C(=O)C2)c1
InChIInChI=1S/C16H19FN4O2/c1-19-10-13(8-18-19)21-6-5-20(11-16(21)22)9-12-7-14(23-2)3-4-15(12)17/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyAJRSLTXYQQIXSA-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.42
Rot. Bonds4

About 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 126796157) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID126796157
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCOc1ccc(F)c(CN2CCN(c3cnn(C)c3)C(=O)C2)c1
InChIInChI=1S/C16H19FN4O2/c1-19-10-13(8-18-19)21-6-5-20(11-16(21)22)9-12-7-14(23-2)3-4-15(12)17/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyAJRSLTXYQQIXSA-UHFFFAOYSA-N
XLogP1.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 126796157) is 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is COc1ccc(F)c(CN2CCN(c3cnn(C)c3)C(=O)C2)c1.
What is the InChIKey of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is AJRSLTXYQQIXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-19-10-13(8-18-19)21-6-5-20(11-16(21)22)9-12-7-14(23-2)3-4-15(12)17/h3-4,7-8,10H,5-6,9,11H2,1-2H3.
What are the key properties of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 318.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 126796157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).