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

C19H15ClN2O3S — CID 16556558

IUPAC2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C19H15ClN2O3S/c20-13-5-7-14(8-6-13)25-12-19(23)22-16(17-3-1-9-24-17)11-15(21-22)18-4-2-10-26-18/h1-10,16H,11-12H2
InChIKeyRHIOIIZELOYDJQ-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.75
Rot. Bonds5

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

2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 16556558) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID16556558
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C19H15ClN2O3S/c20-13-5-7-14(8-6-13)25-12-19(23)22-16(17-3-1-9-24-17)11-15(21-22)18-4-2-10-26-18/h1-10,16H,11-12H2
InChIKeyRHIOIIZELOYDJQ-UHFFFAOYSA-N
XLogP4.75
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone with MolForge

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Related Compounds

2-Chloro-1-(5-furan-2-yl-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3162837
Furan-2-yl-[3-(5-methylfuran-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 2987949
2-(diethylamino)-1-(5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11841123
1-{2-[5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methylpiperazine
CID 11841124
2-(2-Fluorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16300130
2-[2-[3-(Furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzonitrile
CID 16323457
2-(2-Chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16324602
1-(5-(5-methylfuran-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2987751
5-(2-furyl)-1-propionyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 3146328
1-acetyl-5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2951972
1-(4-Chloro-phenyl)-5-furan-2-yl-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 2842931
1-(2-furoyl)-5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 3146329

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (CID 16556558) is 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1N=C(c2cccs2)CC1c1ccco1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is RHIOIIZELOYDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-13-5-7-14(8-6-13)25-12-19(23)22-16(17-3-1-9-24-17)11-15(21-22)18-4-2-10-26-18/h1-10,16H,11-12H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone?
2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 386.86 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 16556558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).