2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine

C15H27N3 — CID 112745787

IUPAC2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
SMILESCCc1cc(CC(C)CC2CCCCN2)n(C)n1
InChIInChI=1S/C15H27N3/c1-4-13-11-15(18(3)17-13)10-12(2)9-14-7-5-6-8-16-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyYKGSMXNGNFVYRZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.69
Rot. Bonds5

About 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine

2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine (PubChem CID 112745787) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine.

Molecular Properties

Compound Name2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
PubChem CID112745787
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
SMILESCCc1cc(CC(C)CC2CCCCN2)n(C)n1
InChIInChI=1S/C15H27N3/c1-4-13-11-15(18(3)17-13)10-12(2)9-14-7-5-6-8-16-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyYKGSMXNGNFVYRZ-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
2-(3-ethyl-1-methylpyrazol-5-yl)azepane
CID 81146779
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
CID 82694533
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565387
1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 116756479
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine?
The IUPAC name of 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine (CID 112745787) is 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine.
What is the SMILES notation for 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine?
The canonical SMILES for 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine is CCc1cc(CC(C)CC2CCCCN2)n(C)n1.
What is the InChIKey of 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine?
The InChIKey is YKGSMXNGNFVYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-13-11-15(18(3)17-13)10-12(2)9-14-7-5-6-8-16-14/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine?
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine has a molecular weight of 249.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine is sourced from PubChem (CID 112745787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).