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

C15H23N3O3 — CID 81338249

IUPACethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cc(C)nn2CC)C1
InChIInChI=1S/C15H23N3O3/c1-4-18-13(9-11(3)16-18)14(19)17-8-6-7-12(10-17)15(20)21-5-2/h9,12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyFAMJSALKBQKZQI-LBPRGKRZSA-N
MW293.37 g/mol
LogP1.63
Rot. Bonds4

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

ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 81338249) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID81338249
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cc(C)nn2CC)C1
InChIInChI=1S/C15H23N3O3/c1-4-18-13(9-11(3)16-18)14(19)17-8-6-7-12(10-17)15(20)21-5-2/h9,12H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyFAMJSALKBQKZQI-LBPRGKRZSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
ethyl 1-[1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 46105384
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
ethyl 1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidine-3-carboxylate
CID 121066862
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 45213629
ethyl 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperidine-3-carboxylate
CID 42877502
ethyl (3R)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 42529647
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate (CID 81338249) is ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C)nn2CC)C1.
What is the InChIKey of ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is FAMJSALKBQKZQI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18-13(9-11(3)16-18)14(19)17-8-6-7-12(10-17)15(20)21-5-2/h9,12H,4-8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81338249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).