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

C19H23N3O4 — CID 7523412

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C19H23N3O4/c1-14-8-10-21(11-9-14)17(23)13-26-19(24)18-16(25-2)12-22(20-18)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyQWRNZERZKOBDMY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.30
Rot. Bonds5

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

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 7523412) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID7523412
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C19H23N3O4/c1-14-8-10-21(11-9-14)17(23)13-26-19(24)18-16(25-2)12-22(20-18)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyQWRNZERZKOBDMY-UHFFFAOYSA-N
XLogP2.30
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.30
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-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7991964
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
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate
CID 46519216
[2-(4-chlorophenyl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703384
ethyl 4-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethoxy]-1-phenylpyrazole-3-carboxylate
CID 55868831
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644229
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703402
ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55311360

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 7523412) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)N1CCC(C)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is QWRNZERZKOBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-8-10-21(11-9-14)17(23)13-26-19(24)18-16(25-2)12-22(20-18)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 7523412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).