N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C13H19N3S — CID 77085606

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCc2cnn(C)c2)s1
InChIInChI=1S/C13H19N3S/c1-11-4-5-13(17-11)10-15(2)7-6-12-8-14-16(3)9-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyMGZCXCIAPUZPHA-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 77085606) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID77085606
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCc2cnn(C)c2)s1
InChIInChI=1S/C13H19N3S/c1-11-4-5-13(17-11)10-15(2)7-6-12-8-14-16(3)9-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyMGZCXCIAPUZPHA-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 77085606) is N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CN(C)CCc2cnn(C)c2)s1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is MGZCXCIAPUZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-11-4-5-13(17-11)10-15(2)7-6-12-8-14-16(3)9-12/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 77085606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).