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

C16H16N2O3 — CID 15716864

IUPAC1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccco3)=NN2C(C)=O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(19)18-15(12-5-7-13(20-2)8-6-12)10-14(17-18)16-4-3-9-21-16/h3-9,15H,10H2,1-2H3
InChIKeyBDNBFLNTGGGOFA-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.99
Rot. Bonds3

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

1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 15716864) 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-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID15716864
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(C2CC(c3ccco3)=NN2C(C)=O)cc1
InChIInChI=1S/C16H16N2O3/c1-11(19)18-15(12-5-7-13(20-2)8-6-12)10-14(17-18)16-4-3-9-21-16/h3-9,15H,10H2,1-2H3
InChIKeyBDNBFLNTGGGOFA-UHFFFAOYSA-N
XLogP2.99
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
N,N-dimethyl-4-[3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazol-5-yl]aniline
CID 2960215
5-(4-methoxyphenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2960511
1-{4-(furan-2-yl)-3-[(3-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 3319593
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 3603800
1-[5-(4-Chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 3582260
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 3831781
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
5-(4-bromophenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958957
(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)(tetrahydrofuran-2-yl)methanone
CID 3153481

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 15716864) is 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(C2CC(c3ccco3)=NN2C(C)=O)cc1.
What is the InChIKey of 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is BDNBFLNTGGGOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(19)18-15(12-5-7-13(20-2)8-6-12)10-14(17-18)16-4-3-9-21-16/h3-9,15H,10H2,1-2H3.
What are the key properties of 1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 284.31 g/mol, XLogP of 2.99, 3 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-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 15716864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).