4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole

C11H14N2OS — CID 99839032

IUPAC4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole
SMILESCc1cc(COc2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H14N2OS/c1-8-4-10(9(2)15-8)7-14-11-5-12-13(3)6-11/h4-6H,7H2,1-3H3
InChIKeyIMHVIFFHDHIWCX-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.68
Rot. Bonds3

About 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole

4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole (PubChem CID 99839032) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole
PubChem CID99839032
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole
SMILESCc1cc(COc2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H14N2OS/c1-8-4-10(9(2)15-8)7-14-11-5-12-13(3)6-11/h4-6H,7H2,1-3H3
InChIKeyIMHVIFFHDHIWCX-UHFFFAOYSA-N
XLogP2.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-Chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole
CID 155961678
1-[(4-Fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
CID 155961688
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559277
N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107559278
N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107559279
[5-[(1-Methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107559280
N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559281
N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559282
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559283
N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107559284
N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107559285
1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
CID 107559286

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole?
The IUPAC name of 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole (CID 99839032) is 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole?
The canonical SMILES for 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole is Cc1cc(COc2cnn(C)c2)c(C)s1.
What is the InChIKey of 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole?
The InChIKey is IMHVIFFHDHIWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-4-10(9(2)15-8)7-14-11-5-12-13(3)6-11/h4-6H,7H2,1-3H3.
What are the key properties of 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole?
4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole has a molecular weight of 222.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylthiophen-3-yl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 99839032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).