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

C16H25N3OS — CID 107559046

IUPAC2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C16H25N3OS/c1-11-15(12(2)19(6)18-11)20-10-14-8-7-13(21-14)9-17-16(3,4)5/h7-8,17H,9-10H2,1-6H3
InChIKeyWIOFUUBOALLXRG-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.57
Rot. Bonds5

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

2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107559046) 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-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107559046
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-2-amine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C16H25N3OS/c1-11-15(12(2)19(6)18-11)20-10-14-8-7-13(21-14)9-17-16(3,4)5/h7-8,17H,9-10H2,1-6H3
InChIKeyWIOFUUBOALLXRG-UHFFFAOYSA-N
XLogP3.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 51104751
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 51105072
[1,3-Dimethyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-yl]methanamine
CID 63756505
[3-[(1,3,5-Trimethylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 65555168
N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanamine
CID 65555172
N-[(5-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanamine
CID 65555173
N-(thiophen-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanamine
CID 65555782
N-(thiophen-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxypropan-1-amine
CID 65555987
1-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)oxyethyl]ethanamine
CID 65556398
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanamine
CID 65557018
2-thiophen-3-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)oxyethyl]ethanamine
CID 65557631
2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)oxyethyl]ethanamine
CID 65557832

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-2-amine?
The IUPAC name of 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (CID 107559046) is 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is Cc1nn(C)c(C)c1OCc1ccc(CNC(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is WIOFUUBOALLXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11-15(12(2)19(6)18-11)20-10-14-8-7-13(21-14)9-17-16(3,4)5/h7-8,17H,9-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 307.46 g/mol, XLogP of 3.57, 5 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-2-amine is sourced from PubChem (CID 107559046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).