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

C15H23N3OS — CID 116793528

IUPAC2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1sc(CNCC(C)C)cc1COc1cnn(C)c1
InChIInChI=1S/C15H23N3OS/c1-11(2)6-16-8-15-5-13(12(3)20-15)10-19-14-7-17-18(4)9-14/h5,7,9,11,16H,6,8,10H2,1-4H3
InChIKeyQEWUIOPGYNJBIO-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.11
Rot. Bonds7

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

2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 116793528) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID116793528
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1sc(CNCC(C)C)cc1COc1cnn(C)c1
InChIInChI=1S/C15H23N3OS/c1-11(2)6-16-8-15-5-13(12(3)20-15)10-19-14-7-17-18(4)9-14/h5,7,9,11,16H,6,8,10H2,1-4H3
InChIKeyQEWUIOPGYNJBIO-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (CID 116793528) is 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is Cc1sc(CNCC(C)C)cc1COc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is QEWUIOPGYNJBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(2)6-16-8-15-5-13(12(3)20-15)10-19-14-7-17-18(4)9-14/h5,7,9,11,16H,6,8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 116793528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).