4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine

C9H15N3O — CID 81342506

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine
SMILESCc1cc(OC2CCNCC2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-7-6-9(12-11-7)13-8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
InChIKeyAQCGOWZUHDYJFE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds2

About 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine

4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine (PubChem CID 81342506) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine
PubChem CID81342506
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine
SMILESCc1cc(OC2CCNCC2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-7-6-9(12-11-7)13-8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
InChIKeyAQCGOWZUHDYJFE-UHFFFAOYSA-N
XLogP0.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine (CID 81342506) is 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine is Cc1cc(OC2CCNCC2)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine?
The InChIKey is AQCGOWZUHDYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-6-9(12-11-7)13-8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine?
4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine has a molecular weight of 181.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)oxy]piperidine is sourced from PubChem (CID 81342506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).