2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

C16H25N3OS — CID 107559040

IUPAC2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNCC(C)C)s1
InChIInChI=1S/C16H25N3OS/c1-11(2)8-17-9-14-6-7-15(21-14)10-20-16-12(3)18-19(5)13(16)4/h6-7,11,17H,8-10H2,1-5H3
InChIKeyQJOCOIZIWHERBN-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.42
Rot. Bonds7

About 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107559040) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107559040
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNCC(C)C)s1
InChIInChI=1S/C16H25N3OS/c1-11(2)8-17-9-14-6-7-15(21-14)10-20-16-12(3)18-19(5)13(16)4/h6-7,11,17H,8-10H2,1-5H3
InChIKeyQJOCOIZIWHERBN-UHFFFAOYSA-N
XLogP3.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.42
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-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (CID 107559040) is 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is Cc1nn(C)c(C)c1OCc1ccc(CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is QJOCOIZIWHERBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11(2)8-17-9-14-6-7-15(21-14)10-20-16-12(3)18-19(5)13(16)4/h6-7,11,17H,8-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 307.46 g/mol, XLogP of 3.42, 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-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107559040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).