4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine

C12H17N3S — CID 70266108

IUPAC4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine
SMILESC1=C(c2cc(C3CCNCC3)[nH]n2)SCC1
InChIInChI=1S/C12H17N3S/c1-2-12(16-7-1)11-8-10(14-15-11)9-3-5-13-6-4-9/h2,8-9,13H,1,3-7H2,(H,14,15)
InChIKeyCNHJWXUALAVONQ-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.35
Rot. Bonds2

About 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine

4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine (PubChem CID 70266108) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine
PubChem CID70266108
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine
SMILESC1=C(c2cc(C3CCNCC3)[nH]n2)SCC1
InChIInChI=1S/C12H17N3S/c1-2-12(16-7-1)11-8-10(14-15-11)9-3-5-13-6-4-9/h2,8-9,13H,1,3-7H2,(H,14,15)
InChIKeyCNHJWXUALAVONQ-UHFFFAOYSA-N
XLogP2.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine (CID 70266108) is 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine is C1=C(c2cc(C3CCNCC3)[nH]n2)SCC1.
What is the InChIKey of 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is CNHJWXUALAVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-2-12(16-7-1)11-8-10(14-15-11)9-3-5-13-6-4-9/h2,8-9,13H,1,3-7H2,(H,14,15).
What are the key properties of 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine?
4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 235.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydrothiophen-5-yl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 70266108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).