2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide

C11H13ClN4OS — CID 114138951

IUPAC2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
SMILESNc1cnn(CC(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C11H13ClN4OS/c12-10-2-1-9(18-10)3-4-14-11(17)7-16-6-8(13)5-15-16/h1-2,5-6H,3-4,7,13H2,(H,14,17)
InChIKeyLGCSQNDOOYBAOU-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.54
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide (PubChem CID 114138951) has the molecular formula C11H13ClN4OS and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
PubChem CID114138951
Molecular FormulaC11H13ClN4OS
Molecular Weight284.77 g/mol
Exact Mass284.05
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
SMILESNc1cnn(CC(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C11H13ClN4OS/c12-10-2-1-9(18-10)3-4-14-11(17)7-16-6-8(13)5-15-16/h1-2,5-6H,3-4,7,13H2,(H,14,17)
InChIKeyLGCSQNDOOYBAOU-UHFFFAOYSA-N
XLogP1.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033257
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033376
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 106041563
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 106047885
2-(4-aminopyrazol-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 114138928
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
CID 83201957

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide (CID 114138951) is 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide is Nc1cnn(CC(=O)NCCc2ccc(Cl)s2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
The InChIKey is LGCSQNDOOYBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS/c12-10-2-1-9(18-10)3-4-14-11(17)7-16-6-8(13)5-15-16/h1-2,5-6H,3-4,7,13H2,(H,14,17).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide has a molecular weight of 284.77 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 114138951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).