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

C17H18N2O4 — CID 53322326

IUPAC1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(OC)c(C2CC(c3ccco3)=NN2C(C)=O)c1
InChIInChI=1S/C17H18N2O4/c1-11(20)19-15(10-14(18-19)17-5-4-8-23-17)13-9-12(21-2)6-7-16(13)22-3/h4-9,15H,10H2,1-3H3
InChIKeyITGQLUYHFYHXPK-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.99
Rot. Bonds4

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

1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 53322326) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID53322326
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccc(OC)c(C2CC(c3ccco3)=NN2C(C)=O)c1
InChIInChI=1S/C17H18N2O4/c1-11(20)19-15(10-14(18-19)17-5-4-8-23-17)13-9-12(21-2)6-7-16(13)22-3/h4-9,15H,10H2,1-3H3
InChIKeyITGQLUYHFYHXPK-UHFFFAOYSA-N
XLogP2.99
TPSA64.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-bromophenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958957
1-(3-Furan-2-yl-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3504925
1-{4-(furan-2-yl)-3-[(4-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 5001642
1-[3-(4-Fluorophenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 2856918
1-[3-(4-Methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 2885313
1-[5-(3-fluorophenyl)-3-(5-methylfuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 3112969
1-acetyl-5-(4-bromophenyl)-3-(2-furyl)-4,5-dihydro-1H-pyrazole
CID 2729938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 53322326) is 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccc(OC)c(C2CC(c3ccco3)=NN2C(C)=O)c1.
What is the InChIKey of 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is ITGQLUYHFYHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(20)19-15(10-14(18-19)17-5-4-8-23-17)13-9-12(21-2)6-7-16(13)22-3/h4-9,15H,10H2,1-3H3.
What are the key properties of 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 314.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 53322326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).