[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate

C20H25N3O4 — CID 7991964

IUPAC[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCC[C@H]1CCCCN1C(=O)COC(=O)c1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-3-15-9-7-8-12-22(15)18(24)14-27-20(25)19-17(26-2)13-23(21-19)16-10-5-4-6-11-16/h4-6,10-11,13,15H,3,7-9,12,14H2,1-2H3/t15-/m0/s1
InChIKeyIIRKEICSHNQSOQ-HNNXBMFYSA-N
MW371.44 g/mol
LogP2.83
Rot. Bonds6

About [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 7991964) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID7991964
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCC[C@H]1CCCCN1C(=O)COC(=O)c1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-3-15-9-7-8-12-22(15)18(24)14-27-20(25)19-17(26-2)13-23(21-19)16-10-5-4-6-11-16/h4-6,10-11,13,15H,3,7-9,12,14H2,1-2H3/t15-/m0/s1
InChIKeyIIRKEICSHNQSOQ-HNNXBMFYSA-N
XLogP2.83
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644222
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523412
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 55326103
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557219
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 7203935
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55441885
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500791
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 7991964) is [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate is CC[C@H]1CCCCN1C(=O)COC(=O)c1nn(-c2ccccc2)cc1OC.
What is the InChIKey of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is IIRKEICSHNQSOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-15-9-7-8-12-22(15)18(24)14-27-20(25)19-17(26-2)13-23(21-19)16-10-5-4-6-11-16/h4-6,10-11,13,15H,3,7-9,12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 7991964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).