5-methyl-2-(1H-pyrazol-4-yl)piperidine

C9H15N3 — CID 172766986

IUPAC5-methyl-2-(1H-pyrazol-4-yl)piperidine
SMILESCC1CCC(c2cn[nH]c2)NC1
InChIInChI=1S/C9H15N3/c1-7-2-3-9(10-4-7)8-5-11-12-6-8/h5-7,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyMLEOLYZTPUPLCH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.47
Rot. Bonds1

About 5-methyl-2-(1H-pyrazol-4-yl)piperidine

5-methyl-2-(1H-pyrazol-4-yl)piperidine (PubChem CID 172766986) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-2-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name5-methyl-2-(1H-pyrazol-4-yl)piperidine
PubChem CID172766986
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-methyl-2-(1H-pyrazol-4-yl)piperidine
SMILESCC1CCC(c2cn[nH]c2)NC1
InChIInChI=1S/C9H15N3/c1-7-2-3-9(10-4-7)8-5-11-12-6-8/h5-7,9-10H,2-4H2,1H3,(H,11,12)
InChIKeyMLEOLYZTPUPLCH-UHFFFAOYSA-N
XLogP1.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 5-methyl-2-(1H-pyrazol-4-yl)piperidine (CID 172766986) is 5-methyl-2-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 5-methyl-2-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 5-methyl-2-(1H-pyrazol-4-yl)piperidine is CC1CCC(c2cn[nH]c2)NC1.
What is the InChIKey of 5-methyl-2-(1H-pyrazol-4-yl)piperidine?
The InChIKey is MLEOLYZTPUPLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-2-3-9(10-4-7)8-5-11-12-6-8/h5-7,9-10H,2-4H2,1H3,(H,11,12).
What are the key properties of 5-methyl-2-(1H-pyrazol-4-yl)piperidine?
5-methyl-2-(1H-pyrazol-4-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 172766986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).