N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine

C13H19N3OS — CID 91412037

IUPACN,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1sccc1-c1ccnn1C
InChIInChI=1S/C13H19N3OS/c1-15(2)7-8-17-10-13-11(5-9-18-13)12-4-6-14-16(12)3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyCNAXHHNZLJFZIN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.23
Rot. Bonds6

About N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine

N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine (PubChem CID 91412037) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine
PubChem CID91412037
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1sccc1-c1ccnn1C
InChIInChI=1S/C13H19N3OS/c1-15(2)7-8-17-10-13-11(5-9-18-13)12-4-6-14-16(12)3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyCNAXHHNZLJFZIN-UHFFFAOYSA-N
XLogP2.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine (CID 91412037) is N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine is CN(C)CCOCc1sccc1-c1ccnn1C.
What is the InChIKey of N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine?
The InChIKey is CNAXHHNZLJFZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15(2)7-8-17-10-13-11(5-9-18-13)12-4-6-14-16(12)3/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine is sourced from PubChem (CID 91412037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).