1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C17H20N2O2 — CID 65407021

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-8-7-15(18-19)10-16(20)14-9-13-5-3-4-6-17(13)21-11-14/h3-8,12,14H,9-11H2,1-2H3
InChIKeyVQDPRGXUFUCABW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.83
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 65407021) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID65407021
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-8-7-15(18-19)10-16(20)14-9-13-5-3-4-6-17(13)21-11-14/h3-8,12,14H,9-11H2,1-2H3
InChIKeyVQDPRGXUFUCABW-UHFFFAOYSA-N
XLogP2.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 65407021) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)C2COc3ccccc3C2)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is VQDPRGXUFUCABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)19-8-7-15(18-19)10-16(20)14-9-13-5-3-4-6-17(13)21-11-14/h3-8,12,14H,9-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 65407021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).