[1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate

C16H20N2O4 — CID 67452587

IUPAC[1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate
SMILESCCOc1ccc(-n2nc(CC)c(OC(=O)OC)c2C)cc1
InChIInChI=1S/C16H20N2O4/c1-5-14-15(22-16(19)20-4)11(3)18(17-14)12-7-9-13(10-8-12)21-6-2/h7-10H,5-6H2,1-4H3
InChIKeyWXZPSCNIMDFOHP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.29
Rot. Bonds5

About [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate

[1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate (PubChem CID 67452587) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate
PubChem CID67452587
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate
SMILESCCOc1ccc(-n2nc(CC)c(OC(=O)OC)c2C)cc1
InChIInChI=1S/C16H20N2O4/c1-5-14-15(22-16(19)20-4)11(3)18(17-14)12-7-9-13(10-8-12)21-6-2/h7-10H,5-6H2,1-4H3
InChIKeyWXZPSCNIMDFOHP-UHFFFAOYSA-N
XLogP3.29
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[1-(4-Methoxyphenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
CID 11544226
(5-Methyl-2-phenylpyrazol-3-yl) 6-nitrooxyhexyl carbonate
CID 71451649
1-(4-methoxyphenyl)-3,5-dimethyl-1H-Pyrazole
CID 13019919
1-(2-Methoxyphenyl)-3,5-dimethyl-1H-pyrazole
CID 18177290
1-{2-[4-(3-Methyl-5-trifluoromethyl-pyrazol-1-yl)-phenoxy]-ethyl}-piperidine
CID 24769551
1-[2-[4-(5-Fluoro-3-methylpyrazol-1-yl)phenoxy]ethyl]piperidine
CID 59660702
Benzyl [3-ethyl-1-(4-fluorophenyl)-5-methylpyrazol-4-yl] carbonate
CID 67451294
5-(1-Ethenoxyprop-1-enyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 123370690
ethane;1-(4-methoxyphenyl)-5-[(Z)-1-methoxyprop-1-enyl]-3-(trifluoromethyl)pyrazole
CID 144673428
5-[(3-Fluorophenoxy)methyl]-1-(4-fluorophenyl)-3-methylpyrazole
CID 156173707
3-(2,2-dimethyl-4H-1,3-dioxin-5-yl)-5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 176275599
1-[4-(1,1-Difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole
CID 176921672

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate?
The IUPAC name of [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate (CID 67452587) is [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate.
What is the SMILES notation for [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate?
The canonical SMILES for [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate is CCOc1ccc(-n2nc(CC)c(OC(=O)OC)c2C)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate?
The InChIKey is WXZPSCNIMDFOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-5-14-15(22-16(19)20-4)11(3)18(17-14)12-7-9-13(10-8-12)21-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate?
[1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate has a molecular weight of 304.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-3-ethyl-5-methylpyrazol-4-yl] methyl carbonate is sourced from PubChem (CID 67452587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).