1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one

C15H19N3OS — CID 116601706

IUPAC1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESNC(C(=O)Cc1ccn(C2CCCC2)n1)c1cccs1
InChIInChI=1S/C15H19N3OS/c16-15(14-6-3-9-20-14)13(19)10-11-7-8-18(17-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,16H2
InChIKeyPQPBAUNNFFGXEI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.87
Rot. Bonds5

About 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one

1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one (PubChem CID 116601706) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
PubChem CID116601706
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESNC(C(=O)Cc1ccn(C2CCCC2)n1)c1cccs1
InChIInChI=1S/C15H19N3OS/c16-15(14-6-3-9-20-14)13(19)10-11-7-8-18(17-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,16H2
InChIKeyPQPBAUNNFFGXEI-UHFFFAOYSA-N
XLogP2.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(1-cyclopentylpyrazol-3-yl)-5-methylsulfonylpentan-2-one
CID 116552125
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
CID 116607065
1-(1-cyclopentylpyrazol-3-yl)-3-hydroxyhexan-2-one
CID 103453825
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105104774
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 116585300
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one (CID 116601706) is 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one is NC(C(=O)Cc1ccn(C2CCCC2)n1)c1cccs1.
What is the InChIKey of 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The InChIKey is PQPBAUNNFFGXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-15(14-6-3-9-20-14)13(19)10-11-7-8-18(17-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,16H2.
What are the key properties of 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one has a molecular weight of 289.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116601706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).