(3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine

C9H15N3 — CID 146329669

IUPAC(3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine
SMILESC[C@@H]1CNC[C@H](n2cccn2)C1
InChIInChI=1S/C9H15N3/c1-8-5-9(7-10-6-8)12-4-2-3-11-12/h2-4,8-10H,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyUCGCEVPEBWZNEW-DTWKUNHWSA-N
MW165.24 g/mol
LogP1.05
Rot. Bonds1

About (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine

(3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine (PubChem CID 146329669) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name(3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine
PubChem CID146329669
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine
SMILESC[C@@H]1CNC[C@H](n2cccn2)C1
InChIInChI=1S/C9H15N3/c1-8-5-9(7-10-6-8)12-4-2-3-11-12/h2-4,8-10H,5-7H2,1H3/t8-,9+/m0/s1
InChIKeyUCGCEVPEBWZNEW-DTWKUNHWSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine?
The IUPAC name of (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine (CID 146329669) is (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine.
What is the SMILES notation for (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine?
The canonical SMILES for (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine is C[C@@H]1CNC[C@H](n2cccn2)C1.
What is the InChIKey of (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine?
The InChIKey is UCGCEVPEBWZNEW-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-5-9(7-10-6-8)12-4-2-3-11-12/h2-4,8-10H,5-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine?
(3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine has a molecular weight of 165.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-methyl-5-pyrazol-1-ylpiperidine is sourced from PubChem (CID 146329669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).