2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone

C19H25N3O4S — CID 18565362

IUPAC2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
SMILESCc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c(C)c1
InChIInChI=1S/C19H25N3O4S/c1-13-7-8-17(14(2)11-13)26-12-18(23)22-16(4)19(15(3)20-22)27(24,25)21-9-5-6-10-21/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyZHKIMDVIPHCBGD-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.62
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone

2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone (PubChem CID 18565362) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
PubChem CID18565362
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
SMILESCc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c(C)c1
InChIInChI=1S/C19H25N3O4S/c1-13-7-8-17(14(2)11-13)26-12-18(23)22-16(4)19(15(3)20-22)27(24,25)21-9-5-6-10-21/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyZHKIMDVIPHCBGD-UHFFFAOYSA-N
XLogP2.62
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone 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

1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 16896663
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 3161694
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-(4-methylphenoxy)ethanone
CID 18565340
(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
CID 18565315
(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(4-ethoxyphenyl)methanone
CID 27652480
N-(2,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126393916
2-cyclohexyl-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
CID 18565356
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546036
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421409
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)propanamide
CID 50794579
1-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 53079051
(4-bromophenyl)-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone
CID 27452918

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone (CID 18565362) is 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone is Cc1ccc(OCC(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone?
The InChIKey is ZHKIMDVIPHCBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-7-8-17(14(2)11-13)26-12-18(23)22-16(4)19(15(3)20-22)27(24,25)21-9-5-6-10-21/h7-8,11H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone?
2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone has a molecular weight of 391.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone is sourced from PubChem (CID 18565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).