methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate

C13H21N3O2 — CID 103014006

IUPACmethyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCc2ccnn2C)C1
InChIInChI=1S/C13H21N3O2/c1-15-12(5-7-14-15)6-9-16-8-3-4-11(10-16)13(17)18-2/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyQECARSGYWZLSJQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds4

About methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate

methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate (PubChem CID 103014006) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
PubChem CID103014006
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCc2ccnn2C)C1
InChIInChI=1S/C13H21N3O2/c1-15-12(5-7-14-15)6-9-16-8-3-4-11(10-16)13(17)18-2/h5,7,11H,3-4,6,8-10H2,1-2H3
InChIKeyQECARSGYWZLSJQ-UHFFFAOYSA-N
XLogP0.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carbothioamide
CID 103002658
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
3-(bromomethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015263
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
CID 79046872
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate (CID 103014006) is methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate is COC(=O)C1CCCN(CCc2ccnn2C)C1.
What is the InChIKey of methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate?
The InChIKey is QECARSGYWZLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-12(5-7-14-15)6-9-16-8-3-4-11(10-16)13(17)18-2/h5,7,11H,3-4,6,8-10H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate?
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 103014006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).