1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C15H19N3OS — CID 110106276

IUPAC1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cn[nH]c1C1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C15H19N3OS/c1-11-9-16-17-15(11)12-4-2-6-18(10-12)14(19)8-13-5-3-7-20-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyJPWGQYQBMAVYSE-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.73
Rot. Bonds3

About 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110106276) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110106276
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cn[nH]c1C1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C15H19N3OS/c1-11-9-16-17-15(11)12-4-2-6-18(10-12)14(19)8-13-5-3-7-20-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyJPWGQYQBMAVYSE-UHFFFAOYSA-N
XLogP2.73
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110224806
3-amino-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 171687293
1-[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 29068330
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
1-[(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95111120
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51725949
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124995402
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95845191
1-[2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127247469
1-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669953
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124975903

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 110106276) is 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1cn[nH]c1C1CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is JPWGQYQBMAVYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-9-16-17-15(11)12-4-2-6-18(10-12)14(19)8-13-5-3-7-20-13/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H,16,17).
What are the key properties of 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 289.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110106276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).