1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine

C12H17N3S — CID 19626639

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccsc2)cnn1C
InChIInChI=1S/C12H17N3S/c1-9(12-7-14-15(3)10(12)2)13-6-11-4-5-16-8-11/h4-5,7-9,13H,6H2,1-3H3
InChIKeyXMBMFKICRJDZGJ-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.64
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 19626639) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID19626639
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCc1c(C(C)NCc2ccsc2)cnn1C
InChIInChI=1S/C12H17N3S/c1-9(12-7-14-15(3)10(12)2)13-6-11-4-5-16-8-11/h4-5,7-9,13H,6H2,1-3H3
InChIKeyXMBMFKICRJDZGJ-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine (CID 19626639) is 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine is Cc1c(C(C)NCc2ccsc2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is XMBMFKICRJDZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(12-7-14-15(3)10(12)2)13-6-11-4-5-16-8-11/h4-5,7-9,13H,6H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 19626639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).