(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C114H96Cl2N14O9 — CID 160846870

IUPAC(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCOc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H16N4O.C20H18N2O3.C19H16N2O2.2C18H13ClN2O.C18H20N2O/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15/h1-16H;3-14H,1-2H3;2-14H,1H3;2*1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2/b10-7+;9-8+;10-7+;10-9+;11-6+;12-11+
InChIKeySITFUMXWDDNGKQ-JPPBXYKUSA-N
MW1877.02 g/mol
LogP24.50
Rot. Bonds22

About (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone

(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 160846870) has the molecular formula C114H96Cl2N14O9 and a molecular weight of 1877.02 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID160846870
Molecular FormulaC114H96Cl2N14O9
Molecular Weight1877.02 g/mol
Exact Mass1874.69
IUPAC Name(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESCOc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C21H16N4O.C20H18N2O3.C19H16N2O2.2C18H13ClN2O.C18H20N2O/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15/h1-16H;3-14H,1-2H3;2-14H,1H3;2*1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2/b10-7+;9-8+;10-7+;10-9+;11-6+;12-11+
InChIKeySITFUMXWDDNGKQ-JPPBXYKUSA-N
XLogP24.50
TPSA254.85 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.02
LogP ≤ 524.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 160846870) is (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone is COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1.
What is the InChIKey of (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is SITFUMXWDDNGKQ-JPPBXYKUSA-N. The full InChI is InChI=1S/C21H16N4O.C20H18N2O3.C19H16N2O2.2C18H13ClN2O.C18H20N2O/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15/h1-16H;3-14H,1-2H3;2-14H,1H3;2*1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2/b10-7+;9-8+;10-7+;10-9+;11-6+;12-11+.
What are the key properties of (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 1877.02 g/mol, XLogP of 24.50, 22 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 160846870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).