1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one

C20H20N2O3S — CID 157143072

IUPAC1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
SMILESCOc1cccc(C2=NN=C(SCC(C)=O)C2)c1OCc1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-14(23)13-26-19-11-17(21-22-19)16-9-6-10-18(24-2)20(16)25-12-15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3
InChIKeyWPUNRNNTJITRBI-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.10
Rot. Bonds7

About 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one

1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one (PubChem CID 157143072) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
PubChem CID157143072
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
SMILESCOc1cccc(C2=NN=C(SCC(C)=O)C2)c1OCc1ccccc1
InChIInChI=1S/C20H20N2O3S/c1-14(23)13-26-19-11-17(21-22-19)16-9-6-10-18(24-2)20(16)25-12-15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3
InChIKeyWPUNRNNTJITRBI-UHFFFAOYSA-N
XLogP4.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-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

1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone
CID 157218048
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
3-(3-methoxy-2-phenylmethoxyphenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undeca-2(6),3-diene
CID 110535040
4-[[2-[(1,3-dioxoinden-2-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126192799
3-benzyl-8-methoxy-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 86050242
4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
4-(3-methoxy-2-phenylmethoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168589353
methyl (4S)-4-(3-methoxy-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7500288

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
The IUPAC name of 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one (CID 157143072) is 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one.
What is the SMILES notation for 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
The canonical SMILES for 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one is COc1cccc(C2=NN=C(SCC(C)=O)C2)c1OCc1ccccc1.
What is the InChIKey of 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
The InChIKey is WPUNRNNTJITRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14(23)13-26-19-11-17(21-22-19)16-9-6-10-18(24-2)20(16)25-12-15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one?
1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 368.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 157143072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).