1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one

C14H16N2O2 — CID 116801587

IUPAC1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1cnn(CC)c1
InChIInChI=1S/C14H16N2O2/c1-3-13(17)12-7-5-6-8-14(12)18-11-9-15-16(4-2)10-11/h5-10H,3-4H2,1-2H3
InChIKeyMDOSDPGRYVKBDK-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one

1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one (PubChem CID 116801587) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
PubChem CID116801587
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1cnn(CC)c1
InChIInChI=1S/C14H16N2O2/c1-3-13(17)12-7-5-6-8-14(12)18-11-9-15-16(4-2)10-11/h5-10H,3-4H2,1-2H3
InChIKeyMDOSDPGRYVKBDK-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
2-[2-(1-ethylpyrazol-4-yl)oxyethoxy]benzoic acid
CID 116800060
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
2-(1-ethylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116800744
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
CID 115038747
4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
CID 116800326
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 116801318

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one (CID 116801587) is 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one is CCC(=O)c1ccccc1Oc1cnn(CC)c1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one?
The InChIKey is MDOSDPGRYVKBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-13(17)12-7-5-6-8-14(12)18-11-9-15-16(4-2)10-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one?
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one has a molecular weight of 244.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-one is sourced from PubChem (CID 116801587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).