2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine

C15H14ClN3S — CID 105135243

IUPAC2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14ClN3S/c16-15-7-6-12(20-15)10-13(17)14-8-9-19(18-14)11-4-2-1-3-5-11/h1-9,13H,10,17H2
InChIKeyKMGXRHDXNGGYLY-UHFFFAOYSA-N
MW303.82 g/mol
LogP3.83
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine (PubChem CID 105135243) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
PubChem CID105135243
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H14ClN3S/c16-15-7-6-12(20-15)10-13(17)14-8-9-19(18-14)11-4-2-1-3-5-11/h1-9,13H,10,17H2
InChIKeyKMGXRHDXNGGYLY-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine (CID 105135243) is 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine is NC(Cc1ccc(Cl)s1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine?
The InChIKey is KMGXRHDXNGGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-15-7-6-12(20-15)10-13(17)14-8-9-19(18-14)11-4-2-1-3-5-11/h1-9,13H,10,17H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine has a molecular weight of 303.82 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105135243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).