4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole

C11H14N2OS — CID 116793938

IUPAC4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
SMILESCCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C11H14N2OS/c1-3-10-4-5-11(15-10)8-14-9-6-12-13(2)7-9/h4-7H,3,8H2,1-2H3
InChIKeySUJNAXKMRYHFMO-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.62
Rot. Bonds4

About 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole

4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole (PubChem CID 116793938) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
PubChem CID116793938
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
SMILESCCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C11H14N2OS/c1-3-10-4-5-11(15-10)8-14-9-6-12-13(2)7-9/h4-7H,3,8H2,1-2H3
InChIKeySUJNAXKMRYHFMO-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-(furan-3-ylmethoxy)-1-methylpyrazole
CID 116793970
2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
CID 79800580
4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
CID 115753041
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
2-[5-[(5-ethylthiophen-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79800152
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-[(2-methoxyphenyl)methoxy]-1-methylpyrazole
CID 116794197
1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
CID 130558376
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole (CID 116793938) is 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole is CCc1ccc(COc2cnn(C)c2)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole?
The InChIKey is SUJNAXKMRYHFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-10-4-5-11(15-10)8-14-9-6-12-13(2)7-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole?
4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole has a molecular weight of 222.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 116793938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).