1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one

C12H16N4OS — CID 103507976

IUPAC1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCCn2cccn2)cc1N
InChIInChI=1S/C12H16N4OS/c1-2-10(17)12-9(13)8-11(18-12)14-5-7-16-6-3-4-15-16/h3-4,6,8,14H,2,5,7,13H2,1H3
InChIKeyWQFWLFNGPNGJAE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds6

About 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one

1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one (PubChem CID 103507976) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
PubChem CID103507976
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCCn2cccn2)cc1N
InChIInChI=1S/C12H16N4OS/c1-2-10(17)12-9(13)8-11(18-12)14-5-7-16-6-3-4-15-16/h3-4,6,8,14H,2,5,7,13H2,1H3
InChIKeyWQFWLFNGPNGJAE-UHFFFAOYSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
CID 103507981
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103507965
methyl 3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103507973
5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
CID 103507969
methyl 3-amino-4-cyano-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103508015
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
CID 103426808
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
CID 63356229
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
CID 103507970
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one (CID 103507976) is 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one is CCC(=O)c1sc(NCCn2cccn2)cc1N.
What is the InChIKey of 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one?
The InChIKey is WQFWLFNGPNGJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-10(17)12-9(13)8-11(18-12)14-5-7-16-6-3-4-15-16/h3-4,6,8,14H,2,5,7,13H2,1H3.
What are the key properties of 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one has a molecular weight of 264.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103507976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).