3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine

C13H23N3 — CID 106780178

IUPAC3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
SMILESCCn1nc(C)cc1CC1CNCC(C)C1
InChIInChI=1S/C13H23N3/c1-4-16-13(6-11(3)15-16)7-12-5-10(2)8-14-9-12/h6,10,12,14H,4-5,7-9H2,1-3H3
InChIKeyMJXQUZBEJCBITL-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.00
Rot. Bonds3

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

3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine (PubChem CID 106780178) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
PubChem CID106780178
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
SMILESCCn1nc(C)cc1CC1CNCC(C)C1
InChIInChI=1S/C13H23N3/c1-4-16-13(6-11(3)15-16)7-12-5-10(2)8-14-9-12/h6,10,12,14H,4-5,7-9H2,1-3H3
InChIKeyMJXQUZBEJCBITL-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine?
The IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine (CID 106780178) is 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine.
What is the SMILES notation for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine?
The canonical SMILES for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine is CCn1nc(C)cc1CC1CNCC(C)C1.
What is the InChIKey of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine?
The InChIKey is MJXQUZBEJCBITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16-13(6-11(3)15-16)7-12-5-10(2)8-14-9-12/h6,10,12,14H,4-5,7-9H2,1-3H3.
What are the key properties of 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine?
3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine is sourced from PubChem (CID 106780178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).