5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione

C12H14N2O2S — CID 114798733

IUPAC5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione
SMILESCOCc1cc(=S)n(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C12H14N2O2S/c1-15-8-9-6-12(17)14(13-9)10-4-3-5-11(7-10)16-2/h3-7,13H,8H2,1-2H3
InChIKeyWLEWDAZQHHJMTO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.69
Rot. Bonds4

About 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione

5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione (PubChem CID 114798733) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione
PubChem CID114798733
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione
SMILESCOCc1cc(=S)n(-c2cccc(OC)c2)[nH]1
InChIInChI=1S/C12H14N2O2S/c1-15-8-9-6-12(17)14(13-9)10-4-3-5-11(7-10)16-2/h3-7,13H,8H2,1-2H3
InChIKeyWLEWDAZQHHJMTO-UHFFFAOYSA-N
XLogP2.69
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66020883
2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazole-3-thione
CID 65349520
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
5-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-3-thione
CID 62408882
4-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazol-3-one
CID 83888721
5-ethyl-2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123980
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
CID 139245906
CID 139245906
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione?
The IUPAC name of 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione (CID 114798733) is 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione.
What is the SMILES notation for 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione?
The canonical SMILES for 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione is COCc1cc(=S)n(-c2cccc(OC)c2)[nH]1.
What is the InChIKey of 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione?
The InChIKey is WLEWDAZQHHJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-8-9-6-12(17)14(13-9)10-4-3-5-11(7-10)16-2/h3-7,13H,8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione?
5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione has a molecular weight of 250.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione is sourced from PubChem (CID 114798733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).