1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine

C13H19N3S — CID 19626678

IUPAC1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCn1ncc(C(C)NCc2ccsc2)c1C
InChIInChI=1S/C13H19N3S/c1-4-16-11(3)13(8-15-16)10(2)14-7-12-5-6-17-9-12/h5-6,8-10,14H,4,7H2,1-3H3
InChIKeyWEWDBTFVNXBFSC-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.12
Rot. Bonds5

About 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine

1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 19626678) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID19626678
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCn1ncc(C(C)NCc2ccsc2)c1C
InChIInChI=1S/C13H19N3S/c1-4-16-11(3)13(8-15-16)10(2)14-7-12-5-6-17-9-12/h5-6,8-10,14H,4,7H2,1-3H3
InChIKeyWEWDBTFVNXBFSC-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 19626678) is 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine is CCn1ncc(C(C)NCc2ccsc2)c1C.
What is the InChIKey of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is WEWDBTFVNXBFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-16-11(3)13(8-15-16)10(2)14-7-12-5-6-17-9-12/h5-6,8-10,14H,4,7H2,1-3H3.
What are the key properties of 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 19626678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).