4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C16H20N4O2 — CID 110009222

IUPAC4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(Cc3ccc(CO)cc3)CC2=O)cn1
InChIInChI=1S/C16H20N4O2/c1-18-10-15(8-17-18)20-7-6-19(11-16(20)22)9-13-2-4-14(12-21)5-3-13/h2-5,8,10,21H,6-7,9,11-12H2,1H3
InChIKeyFEFFBWLEBKGWDN-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.76
Rot. Bonds4

About 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 110009222) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID110009222
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(Cc3ccc(CO)cc3)CC2=O)cn1
InChIInChI=1S/C16H20N4O2/c1-18-10-15(8-17-18)20-7-6-19(11-16(20)22)9-13-2-4-14(12-21)5-3-13/h2-5,8,10,21H,6-7,9,11-12H2,1H3
InChIKeyFEFFBWLEBKGWDN-UHFFFAOYSA-N
XLogP0.76
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-fluoro-2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 122138686
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
CID 75514982
4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 97159814
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166226934
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126796157
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 167859840
1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one
CID 126776840
N-ethyl-4-(1-methylpyrazol-4-yl)-3-oxo-N'-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 109435206
N'-methyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109432565
(5R)-6-acetyl-2-[(4-fluorophenyl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373686
N-ethyl-4-(1-methylpyrazol-4-yl)-N'-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434168
(5R)-6-acetyl-2-[(4-methoxyphenyl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373688

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 110009222) is 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(Cc3ccc(CO)cc3)CC2=O)cn1.
What is the InChIKey of 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is FEFFBWLEBKGWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18-10-15(8-17-18)20-7-6-19(11-16(20)22)9-13-2-4-14(12-21)5-3-13/h2-5,8,10,21H,6-7,9,11-12H2,1H3.
What are the key properties of 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 300.36 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 110009222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).