4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one

C16H19N3O2 — CID 168661627

IUPAC4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one
SMILESCC(c1ccccc1-n1cccn1)N1CC(CO)CC1=O
InChIInChI=1S/C16H19N3O2/c1-12(18-10-13(11-20)9-16(18)21)14-5-2-3-6-15(14)19-8-4-7-17-19/h2-8,12-13,20H,9-11H2,1H3
InChIKeyWEUZITVYQACHLG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.77
Rot. Bonds4

About 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168661627) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one
PubChem CID168661627
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one
SMILESCC(c1ccccc1-n1cccn1)N1CC(CO)CC1=O
InChIInChI=1S/C16H19N3O2/c1-12(18-10-13(11-20)9-16(18)21)14-5-2-3-6-15(14)19-8-4-7-17-19/h2-8,12-13,20H,9-11H2,1H3
InChIKeyWEUZITVYQACHLG-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
4-(hydroxymethyl)-1-(2-methyl-1-pyridin-4-ylpropyl)pyrrolidin-2-one
CID 168661593
2-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661735
S-[[1-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665917
1-[1-(2-methoxyphenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669244
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
4-(4-hydroxy-2-methylbutyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 68806012
1-(1-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669260
4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168658813
S-[[1-[(1S)-1-naphthalen-1-ylethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666024
1-[fluoro(phenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 139653065
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one (CID 168661627) is 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one is CC(c1ccccc1-n1cccn1)N1CC(CO)CC1=O.
What is the InChIKey of 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is WEUZITVYQACHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(18-10-13(11-20)9-16(18)21)14-5-2-3-6-15(14)19-8-4-7-17-19/h2-8,12-13,20H,9-11H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168661627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).