1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone

C14H16N2O3 — CID 118430541

IUPAC1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone
SMILESCC(=O)n1cc(Oc2ccccc2)c(OC(C)C)n1
InChIInChI=1S/C14H16N2O3/c1-10(2)18-14-13(9-16(15-14)11(3)17)19-12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyHBYVZQWYQDRECU-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone

1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone (PubChem CID 118430541) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone
PubChem CID118430541
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone
SMILESCC(=O)n1cc(Oc2ccccc2)c(OC(C)C)n1
InChIInChI=1S/C14H16N2O3/c1-10(2)18-14-13(9-16(15-14)11(3)17)19-12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyHBYVZQWYQDRECU-UHFFFAOYSA-N
XLogP3.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone?
The IUPAC name of 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone (CID 118430541) is 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone is CC(=O)n1cc(Oc2ccccc2)c(OC(C)C)n1.
What is the InChIKey of 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone?
The InChIKey is HBYVZQWYQDRECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(2)18-14-13(9-16(15-14)11(3)17)19-12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone?
1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone has a molecular weight of 260.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxy-3-propan-2-yloxypyrazol-1-yl)ethanone is sourced from PubChem (CID 118430541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).