[2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone

C20H15N3O2S — CID 2814859

IUPAC[2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCc1ccc(Oc2ncccc2C(=O)n2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H15N3O2S/c1-14-6-8-15(9-7-14)25-19-16(4-2-11-21-19)20(24)23-12-10-17(22-23)18-5-3-13-26-18/h2-13H,1H3
InChIKeyWZTROMRGUJUAAY-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.80
Rot. Bonds4

About [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone

[2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone (PubChem CID 2814859) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone
PubChem CID2814859
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name[2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCc1ccc(Oc2ncccc2C(=O)n2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H15N3O2S/c1-14-6-8-15(9-7-14)25-19-16(4-2-11-21-19)20(24)23-12-10-17(22-23)18-5-3-13-26-18/h2-13H,1H3
InChIKeyWZTROMRGUJUAAY-UHFFFAOYSA-N
XLogP4.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The IUPAC name of [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone (CID 2814859) is [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone is Cc1ccc(Oc2ncccc2C(=O)n2ccc(-c3cccs3)n2)cc1.
What is the InChIKey of [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The InChIKey is WZTROMRGUJUAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-14-6-8-15(9-7-14)25-19-16(4-2-11-21-19)20(24)23-12-10-17(22-23)18-5-3-13-26-18/h2-13H,1H3.
What are the key properties of [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone?
[2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone has a molecular weight of 361.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenoxy)-3-pyridinyl]-(3-thiophen-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 2814859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).