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

C14H21N3OS — CID 10221319

IUPACN,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
SMILESCc1ccsc1C(OCCN(C)C)c1ccnn1C
InChIInChI=1S/C14H21N3OS/c1-11-6-10-19-14(11)13(18-9-8-16(2)3)12-5-7-15-17(12)4/h5-7,10,13H,8-9H2,1-4H3
InChIKeyIFSDTUPGWOTDNL-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.46
Rot. Bonds6

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

N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine (PubChem CID 10221319) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
PubChem CID10221319
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
SMILESCc1ccsc1C(OCCN(C)C)c1ccnn1C
InChIInChI=1S/C14H21N3OS/c1-11-6-10-19-14(11)13(18-9-8-16(2)3)12-5-7-15-17(12)4/h5-7,10,13H,8-9H2,1-4H3
InChIKeyIFSDTUPGWOTDNL-UHFFFAOYSA-N
XLogP2.46
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine (CID 10221319) is N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine is Cc1ccsc1C(OCCN(C)C)c1ccnn1C.
What is the InChIKey of N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
The InChIKey is IFSDTUPGWOTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-11-6-10-19-14(11)13(18-9-8-16(2)3)12-5-7-15-17(12)4/h5-7,10,13H,8-9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine?
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.46, 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-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine is sourced from PubChem (CID 10221319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).