[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone

C13H15N3OS — CID 95383030

IUPAC[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C13H15N3OS/c17-13(11-4-8-18-10-11)15-6-1-3-12(9-15)16-7-2-5-14-16/h2,4-5,7-8,10,12H,1,3,6,9H2/t12-/m1/s1
InChIKeyAYTLKHLDXVHHHP-GFCCVEGCSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds2

About [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone

[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 95383030) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID95383030
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C13H15N3OS/c17-13(11-4-8-18-10-11)15-6-1-3-12(9-15)16-7-2-5-14-16/h2,4-5,7-8,10,12H,1,3,6,9H2/t12-/m1/s1
InChIKeyAYTLKHLDXVHHHP-GFCCVEGCSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
1-[4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95337402
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone (CID 95383030) is [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is AYTLKHLDXVHHHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(11-4-8-18-10-11)15-6-1-3-12(9-15)16-7-2-5-14-16/h2,4-5,7-8,10,12H,1,3,6,9H2/t12-/m1/s1.
What are the key properties of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone?
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 261.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 95383030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).