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

C13H15N3OS — CID 126462762

IUPAC[3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H15N3OS/c17-13(11-4-7-18-9-11)16-6-1-2-10(8-16)12-3-5-14-15-12/h3-5,7,9-10H,1-2,6,8H2,(H,14,15)
InChIKeyRRNFAGJNENMADL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.49
Rot. Bonds2

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

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 126462762) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID126462762
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C13H15N3OS/c17-13(11-4-7-18-9-11)16-6-1-2-10(8-16)12-3-5-14-15-12/h3-5,7,9-10H,1-2,6,8H2,(H,14,15)
InChIKeyRRNFAGJNENMADL-UHFFFAOYSA-N
XLogP2.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.49
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
5-methyl-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydrothieno[3,4-c]pyridin-4-one
CID 57335445
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 53498731
(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56814125
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]-(5-methylthiophen-2-yl)methanone
CID 118740351
[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 118740369
(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)(thiophen-2-yl)methanone
CID 17583876

Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 126462762) is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is RRNFAGJNENMADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(11-4-7-18-9-11)16-6-1-2-10(8-16)12-3-5-14-15-12/h3-5,7,9-10H,1-2,6,8H2,(H,14,15).
What are the key properties of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 261.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 126462762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).