N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

C11H15N3OS — CID 107559279

IUPACN-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C11H15N3OS/c1-12-6-10-3-4-11(16-10)8-15-9-5-13-14(2)7-9/h3-5,7,12H,6,8H2,1-2H3
InChIKeyNQAFMNKRFFRNEA-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.78
Rot. Bonds5

About N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine

N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (PubChem CID 107559279) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
PubChem CID107559279
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(COc2cnn(C)c2)s1
InChIInChI=1S/C11H15N3OS/c1-12-6-10-3-4-11(16-10)8-15-9-5-13-14(2)7-9/h3-5,7,12H,6,8H2,1-2H3
InChIKeyNQAFMNKRFFRNEA-UHFFFAOYSA-N
XLogP1.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine (CID 107559279) is N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is CNCc1ccc(COc2cnn(C)c2)s1.
What is the InChIKey of N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
The InChIKey is NQAFMNKRFFRNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-12-6-10-3-4-11(16-10)8-15-9-5-13-14(2)7-9/h3-5,7,12H,6,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine has a molecular weight of 237.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107559279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).