2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone

C75H61ClN10O11S2 — CID 158014692

IUPAC2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone
SMILESO=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccco2)n1
InChIInChI=1S/C17H13ClN2O2.C16H18N2O2.C14H10N2O3.2C14H10N2O2S/c18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;2*17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12;17-14(11-6-9-19-10-11)16-7-5-12(15-16)3-4-13-2-1-8-18-13/h1-11H,12H2;3,6-11,13H,1-2,4-5,12H2;3*1-10H/b2*8-7+;2*6-5+;4-3+
InChIKeyFFHUCKWFNOLCMB-SASIBUBJSA-N
MW1377.96 g/mol
LogP17.77
Rot. Bonds17

About 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone

2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone (PubChem CID 158014692) has the molecular formula C75H61ClN10O11S2 and a molecular weight of 1377.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone
PubChem CID158014692
Molecular FormulaC75H61ClN10O11S2
Molecular Weight1377.96 g/mol
Exact Mass1376.37
IUPAC Name2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone
SMILESO=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccco2)n1
InChIInChI=1S/C17H13ClN2O2.C16H18N2O2.C14H10N2O3.2C14H10N2O2S/c18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;2*17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12;17-14(11-6-9-19-10-11)16-7-5-12(15-16)3-4-13-2-1-8-18-13/h1-11H,12H2;3,6-11,13H,1-2,4-5,12H2;3*1-10H/b2*8-7+;2*6-5+;4-3+
InChIKeyFFHUCKWFNOLCMB-SASIBUBJSA-N
XLogP17.77
TPSA253.29 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms99
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.96
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone (CID 158014692) is 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone is O=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccco2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone?
The InChIKey is FFHUCKWFNOLCMB-SASIBUBJSA-N. The full InChI is InChI=1S/C17H13ClN2O2.C16H18N2O2.C14H10N2O3.2C14H10N2O2S/c18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;2*17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12;17-14(11-6-9-19-10-11)16-7-5-12(15-16)3-4-13-2-1-8-18-13/h1-11H,12H2;3,6-11,13H,1-2,4-5,12H2;3*1-10H/b2*8-7+;2*6-5+;4-3+.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone?
2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone has a molecular weight of 1377.96 g/mol, XLogP of 17.77, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;furan-2-yl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 158014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).