5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one

C15H17N3O2 — CID 1203370

IUPAC5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one
SMILESCc1cc(=O)n(CN2CCCC2=O)n1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-12-10-15(20)17(11-16-9-5-8-14(16)19)18(12)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyNNWJDSRGNCDJSW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.53
Rot. Bonds3

About 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one

5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one (PubChem CID 1203370) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one
PubChem CID1203370
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one
SMILESCc1cc(=O)n(CN2CCCC2=O)n1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-12-10-15(20)17(11-16-9-5-8-14(16)19)18(12)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyNNWJDSRGNCDJSW-UHFFFAOYSA-N
XLogP1.53
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3021275
1-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyrrolidin-2-one
CID 19838695
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2415655
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32684872
5-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrrolidin-2-one
CID 174500100
1-benzylpyrrolidin-2-one;methyl formate
CID 143754063
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
2-(2-hydroxyethyl)-1-phenyldiazinan-3-one
CID 105475836
1-[(4-methoxy-3-phenylphenyl)methyl]pyrrolidin-2-one
CID 58020328
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
N-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 74246576

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one?
The IUPAC name of 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one (CID 1203370) is 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one.
What is the SMILES notation for 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one?
The canonical SMILES for 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one is Cc1cc(=O)n(CN2CCCC2=O)n1-c1ccccc1.
What is the InChIKey of 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one?
The InChIKey is NNWJDSRGNCDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-10-15(20)17(11-16-9-5-8-14(16)19)18(12)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3.
What are the key properties of 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one?
5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one has a molecular weight of 271.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylpyrazol-3-one is sourced from PubChem (CID 1203370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).