N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C13H19N3S — CID 50984756

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1sccc1C
InChIInChI=1S/C13H19N3S/c1-4-16(9-12-7-14-15(3)8-12)10-13-11(2)5-6-17-13/h5-8H,4,9-10H2,1-3H3
InChIKeyGMEQDEFFJCSOLI-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.81
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 50984756) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID50984756
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1sccc1C
InChIInChI=1S/C13H19N3S/c1-4-16(9-12-7-14-15(3)8-12)10-13-11(2)5-6-17-13/h5-8H,4,9-10H2,1-3H3
InChIKeyGMEQDEFFJCSOLI-UHFFFAOYSA-N
XLogP2.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 50984756) is N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is CCN(Cc1cnn(C)c1)Cc1sccc1C.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is GMEQDEFFJCSOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-16(9-12-7-14-15(3)8-12)10-13-11(2)5-6-17-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 50984756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).