1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

C15H16N2O2 — CID 103024345

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H16N2O2/c1-17-14(6-7-16-17)4-5-15(18)11-2-3-12-9-19-10-13(12)8-11/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyDOZAOPGGBSDIFQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.27
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103024345) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103024345
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H16N2O2/c1-17-14(6-7-16-17)4-5-15(18)11-2-3-12-9-19-10-13(12)8-11/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyDOZAOPGGBSDIFQ-UHFFFAOYSA-N
XLogP2.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 103023537
1-(3-iodophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024292
1-(3-amino-5-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023983
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
CID 103007247
1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024317
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007545
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023608
1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103024345) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is DOZAOPGGBSDIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17-14(6-7-16-17)4-5-15(18)11-2-3-12-9-19-10-13(12)8-11/h2-3,6-8H,4-5,9-10H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 256.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103024345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).