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

C14H17N3OS — CID 126467704

IUPAC1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H17N3OS/c18-14(8-11-4-7-19-10-11)17-6-1-2-12(9-17)13-3-5-15-16-13/h3-5,7,10,12H,1-2,6,8-9H2,(H,15,16)
InChIKeyOPYBTTNJIHLOII-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.42
Rot. Bonds3

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

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 126467704) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID126467704
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C14H17N3OS/c18-14(8-11-4-7-19-10-11)17-6-1-2-12(9-17)13-3-5-15-16-13/h3-5,7,10,12H,1-2,6,8-9H2,(H,15,16)
InChIKeyOPYBTTNJIHLOII-UHFFFAOYSA-N
XLogP2.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-2-thienyl)[1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanone
CID 16188542
4,4,4-trifluoro-1-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]butan-1-one
CID 56946369
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 60767575
thiophen-3-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121224
5-[1-(3-thiophen-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 72121249
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(thiophene-3-carbonyl)piperidine
CID 118740223
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 118740347
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 118740369
1-[4-[3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 53165417
N-{[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(2-thienyl)acetamide
CID 53148484
7-(cyclobutylmethyl)-2-{[5-(1H-pyrazol-3-yl)-2-thienyl]methyl}-2,7-diazaspiro[4.5]decan-6-one
CID 72908392
1-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26402717

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 126467704) is 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is OPYBTTNJIHLOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14(8-11-4-7-19-10-11)17-6-1-2-12(9-17)13-3-5-15-16-13/h3-5,7,10,12H,1-2,6,8-9H2,(H,15,16).
What are the key properties of 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 275.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 126467704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).