2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine

C11H19N3 — CID 104823542

IUPAC2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCC1CCC(Cc2ccnn2C)CN1
InChIInChI=1S/C11H19N3/c1-9-3-4-10(8-12-9)7-11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyCRPOGYUUVWZOCC-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine

2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 104823542) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine
PubChem CID104823542
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCC1CCC(Cc2ccnn2C)CN1
InChIInChI=1S/C11H19N3/c1-9-3-4-10(8-12-9)7-11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyCRPOGYUUVWZOCC-UHFFFAOYSA-N
XLogP1.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine (CID 104823542) is 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine is CC1CCC(Cc2ccnn2C)CN1.
What is the InChIKey of 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is CRPOGYUUVWZOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-3-4-10(8-12-9)7-11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine?
2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 104823542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).