N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine

C13H19N3OS — CID 107559285

IUPACN-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cnn(CC)c2)s1
InChIInChI=1S/C13H19N3OS/c1-3-14-8-12-5-6-13(18-12)10-17-11-7-15-16(4-2)9-11/h5-7,9,14H,3-4,8,10H2,1-2H3
InChIKeyUQRSRYHDCPLFDB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.65
Rot. Bonds7

About N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107559285) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107559285
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cnn(CC)c2)s1
InChIInChI=1S/C13H19N3OS/c1-3-14-8-12-5-6-13(18-12)10-17-11-7-15-16(4-2)9-11/h5-7,9,14H,3-4,8,10H2,1-2H3
InChIKeyUQRSRYHDCPLFDB-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine (CID 107559285) is N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COc2cnn(CC)c2)s1.
What is the InChIKey of N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is UQRSRYHDCPLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-14-8-12-5-6-13(18-12)10-17-11-7-15-16(4-2)9-11/h5-7,9,14H,3-4,8,10H2,1-2H3.
What are the key properties of N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107559285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).