ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate

C14H21N3O3 — CID 35763507

IUPACethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnn2CC)CC1
InChIInChI=1S/C14H21N3O3/c1-3-17-12(5-8-15-17)13(18)16-9-6-11(7-10-16)14(19)20-4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyWYEOWPBHKPBLOC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.32
Rot. Bonds4

About ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate (PubChem CID 35763507) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
PubChem CID35763507
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnn2CC)CC1
InChIInChI=1S/C14H21N3O3/c1-3-17-12(5-8-15-17)13(18)16-9-6-11(7-10-16)14(19)20-4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyWYEOWPBHKPBLOC-UHFFFAOYSA-N
XLogP1.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19491999
[4-[2-(cyclopropylmethoxy)ethyl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 71841527
1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide
CID 110246499
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
(2-ethylpyrazol-3-yl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97156808
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
CID 53150962
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 154741120
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate (CID 35763507) is ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccnn2CC)CC1.
What is the InChIKey of ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is WYEOWPBHKPBLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-17-12(5-8-15-17)13(18)16-9-6-11(7-10-16)14(19)20-4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 35763507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).