3-methyl-5-(1-methylpyrazol-3-yl)piperidine

C10H17N3 — CID 106781749

IUPAC3-methyl-5-(1-methylpyrazol-3-yl)piperidine
SMILESCC1CNCC(c2ccn(C)n2)C1
InChIInChI=1S/C10H17N3/c1-8-5-9(7-11-6-8)10-3-4-13(2)12-10/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyKVHBBPMJLCOZRK-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.13
Rot. Bonds1

About 3-methyl-5-(1-methylpyrazol-3-yl)piperidine

3-methyl-5-(1-methylpyrazol-3-yl)piperidine (PubChem CID 106781749) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyrazol-3-yl)piperidine
PubChem CID106781749
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-methyl-5-(1-methylpyrazol-3-yl)piperidine
SMILESCC1CNCC(c2ccn(C)n2)C1
InChIInChI=1S/C10H17N3/c1-8-5-9(7-11-6-8)10-3-4-13(2)12-10/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyKVHBBPMJLCOZRK-UHFFFAOYSA-N
XLogP1.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 3-methyl-5-(1-methylpyrazol-3-yl)piperidine (CID 106781749) is 3-methyl-5-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 3-methyl-5-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 3-methyl-5-(1-methylpyrazol-3-yl)piperidine is CC1CNCC(c2ccn(C)n2)C1.
What is the InChIKey of 3-methyl-5-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is KVHBBPMJLCOZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-5-9(7-11-6-8)10-3-4-13(2)12-10/h3-4,8-9,11H,5-7H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methylpyrazol-3-yl)piperidine?
3-methyl-5-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 106781749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).