1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone

C16H16N2O3 — CID 66865490

IUPAC1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(c3ccco3)=N2)c1
InChIInChI=1S/C16H16N2O3/c1-20-13-5-2-4-12(10-13)11-16(19)18-8-7-14(17-18)15-6-3-9-21-15/h2-6,9-10H,7-8,11H2,1H3
InChIKeyLFVJRTWHMAKWKO-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.47
Rot. Bonds4

About 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone

1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 66865490) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID66865490
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(c3ccco3)=N2)c1
InChIInChI=1S/C16H16N2O3/c1-20-13-5-2-4-12(10-13)11-16(19)18-8-7-14(17-18)15-6-3-9-21-15/h2-6,9-10H,7-8,11H2,1H3
InChIKeyLFVJRTWHMAKWKO-UHFFFAOYSA-N
XLogP2.47
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 66865432
4-[2-[2-(3-methoxyphenyl)acetyl]-3,4-dihydropyrazol-5-yl]benzonitrile
CID 66866114
3-[2-[2-(3-methoxyphenyl)acetyl]-3,4-dihydropyrazol-5-yl]benzonitrile
CID 66867373
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 16670583
6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 16669577
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
6-[2-(3-methoxyphenyl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442513
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 32531628
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone (CID 66865490) is 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCC(c3ccco3)=N2)c1.
What is the InChIKey of 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is LFVJRTWHMAKWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-13-5-2-4-12(10-13)11-16(19)18-8-7-14(17-18)15-6-3-9-21-15/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone?
1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 284.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 66865490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).