1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one

C20H21N3O — CID 163382521

IUPAC1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one
SMILESCCc1cccc(-c2cnn(-c3ccncc3)c2)c1C(=O)C(C)C
InChIInChI=1S/C20H21N3O/c1-4-15-6-5-7-18(19(15)20(24)14(2)3)16-12-22-23(13-16)17-8-10-21-11-9-17/h5-14H,4H2,1-3H3
InChIKeyWMNCAJARGJRVBE-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.34
Rot. Bonds5

About 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one

1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one (PubChem CID 163382521) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one
PubChem CID163382521
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one
SMILESCCc1cccc(-c2cnn(-c3ccncc3)c2)c1C(=O)C(C)C
InChIInChI=1S/C20H21N3O/c1-4-15-6-5-7-18(19(15)20(24)14(2)3)16-12-22-23(13-16)17-8-10-21-11-9-17/h5-14H,4H2,1-3H3
InChIKeyWMNCAJARGJRVBE-UHFFFAOYSA-N
XLogP4.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one (CID 163382521) is 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one is CCc1cccc(-c2cnn(-c3ccncc3)c2)c1C(=O)C(C)C.
What is the InChIKey of 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one?
The InChIKey is WMNCAJARGJRVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-15-6-5-7-18(19(15)20(24)14(2)3)16-12-22-23(13-16)17-8-10-21-11-9-17/h5-14H,4H2,1-3H3.
What are the key properties of 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one?
1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one has a molecular weight of 319.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-6-(1-pyridin-4-ylpyrazol-4-yl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 163382521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).