2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine

C9H10ClN3S — CID 130573212

IUPAC2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cn[nH]c1
InChIInChI=1S/C9H10ClN3S/c10-9-2-1-7(14-9)3-8(11)6-4-12-13-5-6/h1-2,4-5,8H,3,11H2,(H,12,13)
InChIKeyGBMDTXIWPDHLHN-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.37
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 130573212) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID130573212
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESNC(Cc1ccc(Cl)s1)c1cn[nH]c1
InChIInChI=1S/C9H10ClN3S/c10-9-2-1-7(14-9)3-8(11)6-4-12-13-5-6/h1-2,4-5,8H,3,11H2,(H,12,13)
InChIKeyGBMDTXIWPDHLHN-UHFFFAOYSA-N
XLogP2.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
2-(5-chlorothiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716425
2-(5-chlorothiophen-2-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105135301
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115841589
2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol
CID 165472767
1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905092
2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105135057
2-(5-chlorothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115841631
2-(5-chlorothiophen-2-yl)-1-(2-phenyltriazol-4-yl)ethanamine
CID 105135061
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine (CID 130573212) is 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine is NC(Cc1ccc(Cl)s1)c1cn[nH]c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is GBMDTXIWPDHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-9-2-1-7(14-9)3-8(11)6-4-12-13-5-6/h1-2,4-5,8H,3,11H2,(H,12,13).
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 227.72 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 130573212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).