3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one

C11H15N3OS — CID 116622684

IUPAC3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCCc1cc(Cn2ccsc2=O)n(CC)n1
InChIInChI=1S/C11H15N3OS/c1-3-9-7-10(14(4-2)12-9)8-13-5-6-16-11(13)15/h5-7H,3-4,8H2,1-2H3
InChIKeyJXVOOHBOIGNIDW-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.74
Rot. Bonds4

About 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one

3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one (PubChem CID 116622684) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
PubChem CID116622684
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
SMILESCCc1cc(Cn2ccsc2=O)n(CC)n1
InChIInChI=1S/C11H15N3OS/c1-3-9-7-10(14(4-2)12-9)8-13-5-6-16-11(13)15/h5-7H,3-4,8H2,1-2H3
InChIKeyJXVOOHBOIGNIDW-UHFFFAOYSA-N
XLogP1.74
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,3-diethylpyrazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 116620741
1-[(1,3-diethylpyrazol-5-yl)methyl]-4,5-dimethylimidazole
CID 116621748
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
1,3-diethyl-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyrazole
CID 116621627
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1,3-thiazol-2-one
CID 116622694
1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrole-2-carboxylic acid
CID 79112919
5-chloro-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66425177
1-[(1,3-diethylpyrazol-5-yl)methyl]piperazine-2,6-dione
CID 66062447
ethyl 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421707
1,3-dimethyl-6-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrimidine-2,4-dione
CID 136527620
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115646857
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one (CID 116622684) is 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one is CCc1cc(Cn2ccsc2=O)n(CC)n1.
What is the InChIKey of 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one?
The InChIKey is JXVOOHBOIGNIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-9-7-10(14(4-2)12-9)8-13-5-6-16-11(13)15/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one?
3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one has a molecular weight of 237.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-diethylpyrazol-5-yl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 116622684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).