(3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

C19H32N2O3 — CID 71924677

IUPAC(3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCCOC1CC(OC(=O)CCc2c(C)nn(C)c2C)C1(CC)CC
InChIInChI=1S/C19H32N2O3/c1-7-19(8-2)16(23-9-3)12-17(19)24-18(22)11-10-15-13(4)20-21(6)14(15)5/h16-17H,7-12H2,1-6H3
InChIKeyVARZWIJNLSKGBK-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.50
Rot. Bonds8

About (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

(3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (PubChem CID 71924677) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name(3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
PubChem CID71924677
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCCOC1CC(OC(=O)CCc2c(C)nn(C)c2C)C1(CC)CC
InChIInChI=1S/C19H32N2O3/c1-7-19(8-2)16(23-9-3)12-17(19)24-18(22)11-10-15-13(4)20-21(6)14(15)5/h16-17H,7-12H2,1-6H3
InChIKeyVARZWIJNLSKGBK-UHFFFAOYSA-N
XLogP3.50
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The IUPAC name of (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (CID 71924677) is (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The canonical SMILES for (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is CCOC1CC(OC(=O)CCc2c(C)nn(C)c2C)C1(CC)CC.
What is the InChIKey of (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The InChIKey is VARZWIJNLSKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-7-19(8-2)16(23-9-3)12-17(19)24-18(22)11-10-15-13(4)20-21(6)14(15)5/h16-17H,7-12H2,1-6H3.
What are the key properties of (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
(3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate has a molecular weight of 336.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2,2-diethylcyclobutyl) 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 71924677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).