2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C18H23N3O2 — CID 56825085

IUPAC2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC2c2cnn(C)c2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-23-16-8-6-14(7-9-16)11-18(22)21-10-4-5-17(21)15-12-19-20(2)13-15/h6-9,12-13,17H,3-5,10-11H2,1-2H3
InChIKeyQPXGQQULIYXVQX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 56825085) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID56825085
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC2c2cnn(C)c2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-23-16-8-6-14(7-9-16)11-18(22)21-10-4-5-17(21)15-12-19-20(2)13-15/h6-9,12-13,17H,3-5,10-11H2,1-2H3
InChIKeyQPXGQQULIYXVQX-UHFFFAOYSA-N
XLogP2.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 56825085) is 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCCC2c2cnn(C)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is QPXGQQULIYXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-16-8-6-14(7-9-16)11-18(22)21-10-4-5-17(21)15-12-19-20(2)13-15/h6-9,12-13,17H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56825085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).