2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C19H20N2O4S — CID 86989540

IUPAC2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCOc1ccccc1CS(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H20N2O4S/c1-25-18-10-6-5-9-16(18)13-26(23,24)14-19(22)21-12-11-17(20-21)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyQSTXRBAYUHFXJA-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.25
Rot. Bonds6

About 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 86989540) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID86989540
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCOc1ccccc1CS(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C19H20N2O4S/c1-25-18-10-6-5-9-16(18)13-26(23,24)14-19(22)21-12-11-17(20-21)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyQSTXRBAYUHFXJA-UHFFFAOYSA-N
XLogP2.25
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-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

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 8810512
2-heptan-4-ylsulfonyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 86867742
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55579267
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethoxybenzoate
CID 7587084
(2-ethoxyphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 55311397
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844659
N-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]phenyl]acetamide
CID 51075010
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 60569276
2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134011024
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568
2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 166193721

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 86989540) is 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is COc1ccccc1CS(=O)(=O)CC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is QSTXRBAYUHFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-25-18-10-6-5-9-16(18)13-26(23,24)14-19(22)21-12-11-17(20-21)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 372.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 86989540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).