1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one

C21H28N4O — CID 56861158

IUPAC1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCc1cc(C)c(CN2CCCC(N3CCCC3=O)C2)c(-n2cccn2)c1
InChIInChI=1S/C21H28N4O/c1-16-12-17(2)19(20(13-16)25-11-5-8-22-25)15-23-9-3-6-18(14-23)24-10-4-7-21(24)26/h5,8,11-13,18H,3-4,6-7,9-10,14-15H2,1-2H3
InChIKeyCXGROMRQVIJZIF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 56861158) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID56861158
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCc1cc(C)c(CN2CCCC(N3CCCC3=O)C2)c(-n2cccn2)c1
InChIInChI=1S/C21H28N4O/c1-16-12-17(2)19(20(13-16)25-11-5-8-22-25)15-23-9-3-6-18(14-23)24-10-4-7-21(24)26/h5,8,11-13,18H,3-4,6-7,9-10,14-15H2,1-2H3
InChIKeyCXGROMRQVIJZIF-UHFFFAOYSA-N
XLogP3.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-7-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135089296
(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95867256
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
(1S,5R)-3-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72907377
1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 74239581
2-(dimethylamino)-8-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 74246882
2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30727209
(3S,6R)-6-(dimethylamino)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]azepane-3-carboxylic acid
CID 171385625
3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25448651
(4aR,7aS)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-methyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70711665
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45191874
[4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 77090594

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one (CID 56861158) is 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one is Cc1cc(C)c(CN2CCCC(N3CCCC3=O)C2)c(-n2cccn2)c1.
What is the InChIKey of 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is CXGROMRQVIJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-12-17(2)19(20(13-16)25-11-5-8-22-25)15-23-9-3-6-18(14-23)24-10-4-7-21(24)26/h5,8,11-13,18H,3-4,6-7,9-10,14-15H2,1-2H3.
What are the key properties of 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 352.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 56861158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).