1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

C11H15N3S — CID 106757796

IUPAC1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccnn1C
InChIInChI=1S/C11H15N3S/c1-9(11-3-5-13-14(11)2)12-7-10-4-6-15-8-10/h3-6,8-9,12H,7H2,1-2H3
InChIKeyQXOJDKKIQNUORE-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.33
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 106757796) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID106757796
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCC(NCc1ccsc1)c1ccnn1C
InChIInChI=1S/C11H15N3S/c1-9(11-3-5-13-14(11)2)12-7-10-4-6-15-8-10/h3-6,8-9,12H,7H2,1-2H3
InChIKeyQXOJDKKIQNUORE-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 19626652
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
1-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 106757924
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
1-(1H-pyrazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 63247743
N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
1-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106757633
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 106757796) is 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is CC(NCc1ccsc1)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is QXOJDKKIQNUORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9(11-3-5-13-14(11)2)12-7-10-4-6-15-8-10/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 106757796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).