2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

C16H20N4O2S — CID 131950339

IUPAC2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N4O2S/c1-13(12-20-6-3-5-17-20)15(21)18-7-9-19(10-8-18)16(22)14-4-2-11-23-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyLRRJMBFMJVYCLA-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 131950339) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID131950339
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N4O2S/c1-13(12-20-6-3-5-17-20)15(21)18-7-9-19(10-8-18)16(22)14-4-2-11-23-14/h2-6,11,13H,7-10,12H2,1H3
InChIKeyLRRJMBFMJVYCLA-UHFFFAOYSA-N
XLogP1.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 104684820
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 56802492
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95601884
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 97210714
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
(2S)-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95325587
2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 131916793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (CID 131950339) is 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is CC(Cn1cccn1)C(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is LRRJMBFMJVYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-13(12-20-6-3-5-17-20)15(21)18-7-9-19(10-8-18)16(22)14-4-2-11-23-14/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 332.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 131950339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).