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

C15H14N2O2 — CID 15716863

IUPAC1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)CC1c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11(18)17-14(12-6-3-2-4-7-12)10-13(16-17)15-8-5-9-19-15/h2-9,14H,10H2,1H3
InChIKeyRTEYSOOQZBKRPP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.98
Rot. Bonds2

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

1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 15716863) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID15716863
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)CC1c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11(18)17-14(12-6-3-2-4-7-12)10-13(16-17)15-8-5-9-19-15/h2-9,14H,10H2,1H3
InChIKeyRTEYSOOQZBKRPP-UHFFFAOYSA-N
XLogP2.98
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9611294
N-{2-[2-(2-furylmethylene)hydrazino]-1-methyl-2-oxoethyl}benzamide
CID 9642248
3-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9677979
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
N-benzoyl-5-(-3'-methoxy phenyl)-3-phenylpyrazoline (2f)
CID 84973182
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
5-(4-ethylphenyl)-3-(furan-2-yl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
CID 2951757
1-benzoyl-3-(2-furyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2952135

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 15716863) is 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccco2)CC1c1ccccc1.
What is the InChIKey of 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is RTEYSOOQZBKRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(18)17-14(12-6-3-2-4-7-12)10-13(16-17)15-8-5-9-19-15/h2-9,14H,10H2,1H3.
What are the key properties of 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 254.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 15716863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).