1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone

C24H16N2O3 — CID 11326471

IUPAC1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C24H16N2O3/c1-15(27)23-20(14-26(25-23)17-8-3-2-4-9-17)24(28)22-13-19-18-10-6-5-7-16(18)11-12-21(19)29-22/h2-14H,1H3
InChIKeyUUXHZLRVXDDXNL-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.21
Rot. Bonds4

About 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone

1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone (PubChem CID 11326471) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone
PubChem CID11326471
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C24H16N2O3/c1-15(27)23-20(14-26(25-23)17-8-3-2-4-9-17)24(28)22-13-19-18-10-6-5-7-16(18)11-12-21(19)29-22/h2-14H,1H3
InChIKeyUUXHZLRVXDDXNL-UHFFFAOYSA-N
XLogP5.21
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone (CID 11326471) is 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone is CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The InChIKey is UUXHZLRVXDDXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3/c1-15(27)23-20(14-26(25-23)17-8-3-2-4-9-17)24(28)22-13-19-18-10-6-5-7-16(18)11-12-21(19)29-22/h2-14H,1H3.
What are the key properties of 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone has a molecular weight of 380.40 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone is sourced from PubChem (CID 11326471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).