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

C13H23N3 — CID 106780199

IUPAC5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
SMILESCCn1nc(C)cc1CC1CCC(C)NC1
InChIInChI=1S/C13H23N3/c1-4-16-13(7-11(3)15-16)8-12-6-5-10(2)14-9-12/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyWHGUSCJLMMPAFM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.14
Rot. Bonds3

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

5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine (PubChem CID 106780199) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
PubChem CID106780199
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine
SMILESCCn1nc(C)cc1CC1CCC(C)NC1
InChIInChI=1S/C13H23N3/c1-4-16-13(7-11(3)15-16)8-12-6-5-10(2)14-9-12/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyWHGUSCJLMMPAFM-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methylpiperidine
CID 106780178
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163
5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
CID 114662369
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 114545767
N-[[2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017649
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
4-[(1,3-diethylpyrazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 114272276
5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole
CID 81198093
5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole
CID 123367533
1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
CID 42576240
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564494
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232165

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine?
The IUPAC name of 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine (CID 106780199) is 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine?
The canonical SMILES for 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine is CCn1nc(C)cc1CC1CCC(C)NC1.
What is the InChIKey of 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine?
The InChIKey is WHGUSCJLMMPAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16-13(7-11(3)15-16)8-12-6-5-10(2)14-9-12/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine?
5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-methylpiperidine is sourced from PubChem (CID 106780199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).