ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate

C14H23N3O2 — CID 115539286

IUPACethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cc(C)nn1C
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)13-7-5-6-8-17(13)10-12-9-11(2)15-16(12)3/h9,13H,4-8,10H2,1-3H3
InChIKeyUEVZWSJKAGZOTG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.65
Rot. Bonds4

About ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate

ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate (PubChem CID 115539286) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate
PubChem CID115539286
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cc(C)nn1C
InChIInChI=1S/C14H23N3O2/c1-4-19-14(18)13-7-5-6-8-17(13)10-12-9-11(2)15-16(12)3/h9,13H,4-8,10H2,1-3H3
InChIKeyUEVZWSJKAGZOTG-UHFFFAOYSA-N
XLogP1.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl 1-[(5-bromo-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 113222665
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431052
ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 62245302
2-(bromomethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]azepane
CID 116638368
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426481
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate (CID 115539286) is ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1cc(C)nn1C.
What is the InChIKey of ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
The InChIKey is UEVZWSJKAGZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-14(18)13-7-5-6-8-17(13)10-12-9-11(2)15-16(12)3/h9,13H,4-8,10H2,1-3H3.
What are the key properties of ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 115539286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).