1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone

C13H15N3O2 — CID 116801606

IUPAC1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
SMILESCCCn1cc(Oc2ccc(C(C)=O)cn2)cn1
InChIInChI=1S/C13H15N3O2/c1-3-6-16-9-12(8-15-16)18-13-5-4-11(7-14-13)10(2)17/h4-5,7-9H,3,6H2,1-2H3
InChIKeyMEZDMENNVPXPIG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.68
Rot. Bonds5

About 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone

1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone (PubChem CID 116801606) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
PubChem CID116801606
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
SMILESCCCn1cc(Oc2ccc(C(C)=O)cn2)cn1
InChIInChI=1S/C13H15N3O2/c1-3-6-16-9-12(8-15-16)18-13-5-4-11(7-14-13)10(2)17/h4-5,7-9H,3,6H2,1-2H3
InChIKeyMEZDMENNVPXPIG-UHFFFAOYSA-N
XLogP2.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol
CID 116802649
[5-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methanamine
CID 116800165
1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]propan-1-one
CID 116801615
2-propyl-6-(1-propylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 116800823
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
ethane;1-[6-(4-phosphanylphenoxy)-3-pyridinyl]ethanone
CID 143530827
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
(E)-3-[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]prop-2-enoic acid
CID 116802424
4-propoxy-1-propylpyrazole
CID 116805185
N-[[6-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methyl]ethanamine
CID 116802960

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone (CID 116801606) is 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone is CCCn1cc(Oc2ccc(C(C)=O)cn2)cn1.
What is the InChIKey of 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone?
The InChIKey is MEZDMENNVPXPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-6-16-9-12(8-15-16)18-13-5-4-11(7-14-13)10(2)17/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone?
1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone has a molecular weight of 245.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone is sourced from PubChem (CID 116801606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).