1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one

C16H19N3O2 — CID 118061246

IUPAC1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESCn1ccc(N2CC(COCc3ccccc3)CC2=O)n1
InChIInChI=1S/C16H19N3O2/c1-18-8-7-15(17-18)19-10-14(9-16(19)20)12-21-11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3
InChIKeyYTXLSDJBIZJCTM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds5

About 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one

1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one (PubChem CID 118061246) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one
PubChem CID118061246
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one
SMILESCn1ccc(N2CC(COCc3ccccc3)CC2=O)n1
InChIInChI=1S/C16H19N3O2/c1-18-8-7-15(17-18)19-10-14(9-16(19)20)12-21-11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3
InChIKeyYTXLSDJBIZJCTM-UHFFFAOYSA-N
XLogP1.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-methyl-3-[2-oxo-4-(phenylmethoxymethyl)pyrrolidin-1-yl]pyrazol-4-yl]carbamate
CID 131735445
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(2S)-5,5-dimethyl-2-[2-oxo-4-(phenylmethoxymethyl)pyrrolidin-1-yl]hexanoic acid
CID 66726130
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
CID 79781955
4-(phenylmethoxymethyl)pyrrolidin-2-one
CID 105457555
1-methyl-3-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 71988827
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one
CID 130283628
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one (CID 118061246) is 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one is Cn1ccc(N2CC(COCc3ccccc3)CC2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one?
The InChIKey is YTXLSDJBIZJCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-8-7-15(17-18)19-10-14(9-16(19)20)12-21-11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one?
1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-4-(phenylmethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 118061246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).