2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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

C91H73ClN12O14S2 — CID 160559106

IUPAC2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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
SMILESCOc1ccc(CC(=O)n2ccc(/C=C/c3ccco3)n2)cc1.O=C(C1CCC1)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/C18H16N2O3.C17H13ClN2O2.C14H10N2O3.2C14H10N2O2S.C14H14N2O2/c1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;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;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h2-12H,13H2,1H3;1-11H,12H2;3*1-10H;2,5-11H,1,3-4H2/b9-6+;8-7+;2*6-5+;4-3+;7-6+
InChIKeyQZBNTYPPUGGQPQ-IZNLBEDASA-N
MW1658.24 g/mol
LogP20.53
Rot. Bonds21

About 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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 160559106) has the molecular formula C91H73ClN12O14S2 and a molecular weight of 1658.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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 CID160559106
Molecular FormulaC91H73ClN12O14S2
Molecular Weight1658.24 g/mol
Exact Mass1656.45
IUPAC Name2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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
SMILESCOc1ccc(CC(=O)n2ccc(/C=C/c3ccco3)n2)cc1.O=C(C1CCC1)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/C18H16N2O3.C17H13ClN2O2.C14H10N2O3.2C14H10N2O2S.C14H14N2O2/c1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;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;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h2-12H,13H2,1H3;1-11H,12H2;3*1-10H;2,5-11H,1,3-4H2/b9-6+;8-7+;2*6-5+;4-3+;7-6+
InChIKeyQZBNTYPPUGGQPQ-IZNLBEDASA-N
XLogP20.53
TPSA310.55 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001658.24
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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 160559106) is 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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 COc1ccc(CC(=O)n2ccc(/C=C/c3ccco3)n2)cc1.O=C(C1CCC1)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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 QZBNTYPPUGGQPQ-IZNLBEDASA-N. The full InChI is InChI=1S/C18H16N2O3.C17H13ClN2O2.C14H10N2O3.2C14H10N2O2S.C14H14N2O2/c1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;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;17-14(11-3-1-4-11)16-9-8-12(15-16)6-7-13-5-2-10-18-13/h2-12H,13H2,1H3;1-11H,12H2;3*1-10H;2,5-11H,1,3-4H2/b9-6+;8-7+;2*6-5+;4-3+;7-6+.
What are the key properties of 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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 1658.24 g/mol, XLogP of 20.53, 21 rotatable bonds, 0 hydrogen bond donors, and 28 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;cyclobutyl-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(4-methoxyphenyl)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 160559106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).