3-(2-methylpyrazol-3-yl)piperidine

C9H15N3 — CID 50989017

IUPAC3-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1C1CCCNC1
InChIInChI=1S/C9H15N3/c1-12-9(4-6-11-12)8-3-2-5-10-7-8/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyKFLUIGJBFHESJJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.89
Rot. Bonds1

About 3-(2-methylpyrazol-3-yl)piperidine

3-(2-methylpyrazol-3-yl)piperidine (PubChem CID 50989017) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)piperidine
PubChem CID50989017
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1C1CCCNC1
InChIInChI=1S/C9H15N3/c1-12-9(4-6-11-12)8-3-2-5-10-7-8/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyKFLUIGJBFHESJJ-UHFFFAOYSA-N
XLogP0.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)piperidine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)piperidine (CID 50989017) is 3-(2-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)piperidine is Cn1nccc1C1CCCNC1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)piperidine?
The InChIKey is KFLUIGJBFHESJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-9(4-6-11-12)8-3-2-5-10-7-8/h4,6,8,10H,2-3,5,7H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)piperidine?
3-(2-methylpyrazol-3-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 50989017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).