ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate

C15H23N3O3 — CID 78991936

IUPACethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc(C)nn1CC
InChIInChI=1S/C15H23N3O3/c1-4-18-13(10-11(3)16-18)14(19)17-9-7-6-8-12(17)15(20)21-5-2/h10,12H,4-9H2,1-3H3
InChIKeyYCKFHMMXRSFAQF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.77
Rot. Bonds4

About ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate

ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate (PubChem CID 78991936) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
PubChem CID78991936
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc(C)nn1CC
InChIInChI=1S/C15H23N3O3/c1-4-18-13(10-11(3)16-18)14(19)17-9-7-6-8-12(17)15(20)21-5-2/h10,12H,4-9H2,1-3H3
InChIKeyYCKFHMMXRSFAQF-UHFFFAOYSA-N
XLogP1.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
(2-ethyl-5-methylpyrazol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66122618
ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 66120366
3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 66126978
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
ethyl 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 55006109
1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77113104
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate (CID 78991936) is ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cc(C)nn1CC.
What is the InChIKey of ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is YCKFHMMXRSFAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18-13(10-11(3)16-18)14(19)17-9-7-6-8-12(17)15(20)21-5-2/h10,12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate?
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 78991936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).