[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C14H17N3OS — CID 126855023

IUPAC[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCn1cc(C2CCCCN2C(=O)c2cccs2)cn1
InChIInChI=1S/C14H17N3OS/c1-16-10-11(9-15-16)12-5-2-3-7-17(12)14(18)13-6-4-8-19-13/h4,6,8-10,12H,2-3,5,7H2,1H3
InChIKeyIYVVPYCVZSOUDY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.85
Rot. Bonds2

About [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 126855023) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID126855023
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCn1cc(C2CCCCN2C(=O)c2cccs2)cn1
InChIInChI=1S/C14H17N3OS/c1-16-10-11(9-15-16)12-5-2-3-7-17(12)14(18)13-6-4-8-19-13/h4,6,8-10,12H,2-3,5,7H2,1H3
InChIKeyIYVVPYCVZSOUDY-UHFFFAOYSA-N
XLogP2.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 171136838
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95336035
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95569607
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167793105
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 95569624
[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 97384245

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 126855023) is [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is Cn1cc(C2CCCCN2C(=O)c2cccs2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is IYVVPYCVZSOUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-16-10-11(9-15-16)12-5-2-3-7-17(12)14(18)13-6-4-8-19-13/h4,6,8-10,12H,2-3,5,7H2,1H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 275.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 126855023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).