3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

C101H87Cl2N19O8S — CID 158647399

IUPAC3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
SMILESCc1nnc(N2N=CCC2/C=C/c2cccc(Cl)c2)n1N.Cn1cccc1C(=O)n1ccc(/C=C/c2ccco2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H20N4O2.C19H15ClN2O.C16H12N2O2.C16H12N2OS.C15H13N3O2.C14H15ClN6/c26-21(18-7-9-20(22-16-18)24-12-14-27-15-13-24)25-11-10-19(23-25)8-6-17-4-2-1-3-5-17;20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;19-16(14-9-11-20-12-14)18-10-8-15(17-18)7-6-13-4-2-1-3-5-13;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;1-10-18-19-14(20(10)16)21-13(7-8-17-21)6-5-11-3-2-4-12(15)9-11/h1-11,16H,12-15H2;1-13H,14H2;2*1-12H;2-11H,1H3;2-6,8-9,13H,7,16H2,1H3/b8-6+;11-8+;9-8+;2*7-6+;6-5+
InChIKeyIBDDNFSJVTVEQF-XQUHXZEOSA-N
MW1797.90 g/mol
LogP19.61
Rot. Bonds20

About 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (PubChem CID 158647399) has the molecular formula C101H87Cl2N19O8S and a molecular weight of 1797.90 g/mol. Its IUPAC name is 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
PubChem CID158647399
Molecular FormulaC101H87Cl2N19O8S
Molecular Weight1797.90 g/mol
Exact Mass1795.61
IUPAC Name3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
SMILESCc1nnc(N2N=CCC2/C=C/c2cccc(Cl)c2)n1N.Cn1cccc1C(=O)n1ccc(/C=C/c2ccco2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H20N4O2.C19H15ClN2O.C16H12N2O2.C16H12N2OS.C15H13N3O2.C14H15ClN6/c26-21(18-7-9-20(22-16-18)24-12-14-27-15-13-24)25-11-10-19(23-25)8-6-17-4-2-1-3-5-17;20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;19-16(14-9-11-20-12-14)18-10-8-15(17-18)7-6-13-4-2-1-3-5-13;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;1-10-18-19-14(20(10)16)21-13(7-8-17-21)6-5-11-3-2-4-12(15)9-11/h1-11,16H,12-15H2;1-13H,14H2;2*1-12H;2-11H,1H3;2-6,8-9,13H,7,16H2,1H3/b8-6+;11-8+;9-8+;2*7-6+;6-5+
InChIKeyIBDDNFSJVTVEQF-XQUHXZEOSA-N
XLogP19.61
TPSA303.35 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001797.90
LogP ≤ 519.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (CID 158647399) is 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is Cc1nnc(N2N=CCC2/C=C/c2cccc(Cl)c2)n1N.Cn1cccc1C(=O)n1ccc(/C=C/c2ccco2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
The InChIKey is IBDDNFSJVTVEQF-XQUHXZEOSA-N. The full InChI is InChI=1S/C21H20N4O2.C19H15ClN2O.C16H12N2O2.C16H12N2OS.C15H13N3O2.C14H15ClN6/c26-21(18-7-9-20(22-16-18)24-12-14-27-15-13-24)25-11-10-19(23-25)8-6-17-4-2-1-3-5-17;20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;19-16(14-9-11-20-12-14)18-10-8-15(17-18)7-6-13-4-2-1-3-5-13;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;1-10-18-19-14(20(10)16)21-13(7-8-17-21)6-5-11-3-2-4-12(15)9-11/h1-11,16H,12-15H2;1-13H,14H2;2*1-12H;2-11H,1H3;2-6,8-9,13H,7,16H2,1H3/b8-6+;11-8+;9-8+;2*7-6+;6-5+.
What are the key properties of 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone has a molecular weight of 1797.90 g/mol, XLogP of 19.61, 20 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-2-(3-chlorophenyl)ethenyl]-3,4-dihydropyrazol-2-yl]-5-methyl-1,2,4-triazol-4-amine;2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 158647399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).