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

C15H23N3OS — CID 107559284

IUPACN-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(OCc2ccc(CNCC(C)C)s2)cn1
InChIInChI=1S/C15H23N3OS/c1-4-18-10-13(8-17-18)19-11-15-6-5-14(20-15)9-16-7-12(2)3/h5-6,8,10,12,16H,4,7,9,11H2,1-3H3
InChIKeyWOXLYQMYHLCNPY-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.29
Rot. Bonds8

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

N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107559284) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107559284
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cc(OCc2ccc(CNCC(C)C)s2)cn1
InChIInChI=1S/C15H23N3OS/c1-4-18-10-13(8-17-18)19-11-15-6-5-14(20-15)9-16-7-12(2)3/h5-6,8,10,12,16H,4,7,9,11H2,1-3H3
InChIKeyWOXLYQMYHLCNPY-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.29
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]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 107559284) is N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is CCn1cc(OCc2ccc(CNCC(C)C)s2)cn1.
What is the InChIKey of N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WOXLYQMYHLCNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-18-10-13(8-17-18)19-11-15-6-5-14(20-15)9-16-7-12(2)3/h5-6,8,10,12,16H,4,7,9,11H2,1-3H3.
What are the key properties of N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.29, 8 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]-2-methylpropan-1-amine is sourced from PubChem (CID 107559284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).