1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

C12H17N3S — CID 19626665

IUPAC1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCn1ccc(C(C)NCc2ccsc2)n1
InChIInChI=1S/C12H17N3S/c1-3-15-6-4-12(14-15)10(2)13-8-11-5-7-16-9-11/h4-7,9-10,13H,3,8H2,1-2H3
InChIKeySRMFTFFQGHDSJJ-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.82
Rot. Bonds5

About 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine

1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 19626665) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID19626665
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCCn1ccc(C(C)NCc2ccsc2)n1
InChIInChI=1S/C12H17N3S/c1-3-15-6-4-12(14-15)10(2)13-8-11-5-7-16-9-11/h4-7,9-10,13H,3,8H2,1-2H3
InChIKeySRMFTFFQGHDSJJ-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 19626665) is 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is CCn1ccc(C(C)NCc2ccsc2)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is SRMFTFFQGHDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-6-4-12(14-15)10(2)13-8-11-5-7-16-9-11/h4-7,9-10,13H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 19626665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).