[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate

C18H17ClN2O5 — CID 3535994

IUPAC[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C18H17ClN2O5/c1-24-11-18(23)26-10-17(22)21-15(16-3-2-8-25-16)9-14(20-21)12-4-6-13(19)7-5-12/h2-8,15H,9-11H2,1H3
InChIKeyQAAWJQLSBMSUGS-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.80
Rot. Bonds6

About [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate

[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate (PubChem CID 3535994) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate
PubChem CID3535994
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C18H17ClN2O5/c1-24-11-18(23)26-10-17(22)21-15(16-3-2-8-25-16)9-14(20-21)12-4-6-13(19)7-5-12/h2-8,15H,9-11H2,1H3
InChIKeyQAAWJQLSBMSUGS-UHFFFAOYSA-N
XLogP2.80
TPSA81.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate with MolForge

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Related Compounds

[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 2952169
Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-furylmethyl)-N-methylacetamide
CID 4293941
(3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3248551
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158108
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
2-chloro-1-(3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 5019322
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)(tetrahydrofuran-2-yl)methanone
CID 3153481
[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3158125
3-[2-[5-(4-Chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 3537064

Frequently Asked Questions

What is the IUPAC name of [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate (CID 3535994) is [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1.
What is the InChIKey of [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is QAAWJQLSBMSUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-24-11-18(23)26-10-17(22)21-15(16-3-2-8-25-16)9-14(20-21)12-4-6-13(19)7-5-12/h2-8,15H,9-11H2,1H3.
What are the key properties of [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate?
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 376.80 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 3535994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).