2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one

C112H144ClN15O13 — CID 158359479

IUPAC2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one
SMILESCC1=NN(CC(=O)c2cc[nH]c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2cccc(C)c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2cccc(Cl)c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2ccccn2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2ccncc2)C(=O)C1(C)C1CCCCC1.COc1ccc(C(=O)CN2N=C(C)C(C)(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C20H26N2O3.C20H26N2O2.C19H23ClN2O2.2C18H23N3O2.C17H23N3O2/c1-14-20(2,16-7-5-4-6-8-16)19(24)22(21-14)13-18(23)15-9-11-17(25-3)12-10-15;1-14-8-7-9-16(12-14)18(23)13-22-19(24)20(3,15(2)21-22)17-10-5-4-6-11-17;1-13-19(2,15-8-4-3-5-9-15)18(24)22(21-13)12-17(23)14-7-6-10-16(20)11-14;1-13-18(2,14-8-4-3-5-9-14)17(23)21(20-13)12-16(22)15-10-6-7-11-19-15;1-13-18(2,15-6-4-3-5-7-15)17(23)21(20-13)12-16(22)14-8-10-19-11-9-14;1-12-17(2,14-6-4-3-5-7-14)16(22)20(19-12)11-15(21)13-8-9-18-10-13/h9-12,16H,4-8,13H2,1-3H3;7-9,12,17H,4-6,10-11,13H2,1-3H3;6-7,10-11,15H,3-5,8-9,12H2,1-2H3;6-7,10-11,14H,3-5,8-9,12H2,1-2H3;8-11,15H,3-7,12H2,1-2H3;8-10,14,18H,3-7,11H2,1-2H3
InChIKeyGTHFBJPDYXJRGI-UHFFFAOYSA-N
MW1943.93 g/mol
LogP21.13
Rot. Bonds25

About 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one

2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one (PubChem CID 158359479) has the molecular formula C112H144ClN15O13 and a molecular weight of 1943.93 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one
PubChem CID158359479
Molecular FormulaC112H144ClN15O13
Molecular Weight1943.93 g/mol
Exact Mass1942.08
IUPAC Name2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one
SMILESCC1=NN(CC(=O)c2cc[nH]c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2cccc(C)c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2cccc(Cl)c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2ccccn2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2ccncc2)C(=O)C1(C)C1CCCCC1.COc1ccc(C(=O)CN2N=C(C)C(C)(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C20H26N2O3.C20H26N2O2.C19H23ClN2O2.2C18H23N3O2.C17H23N3O2/c1-14-20(2,16-7-5-4-6-8-16)19(24)22(21-14)13-18(23)15-9-11-17(25-3)12-10-15;1-14-8-7-9-16(12-14)18(23)13-22-19(24)20(3,15(2)21-22)17-10-5-4-6-11-17;1-13-19(2,15-8-4-3-5-9-15)18(24)22(21-13)12-17(23)14-7-6-10-16(20)11-14;1-13-18(2,14-8-4-3-5-9-14)17(23)21(20-13)12-16(22)15-10-6-7-11-19-15;1-13-18(2,15-6-4-3-5-7-15)17(23)21(20-13)12-16(22)14-8-10-19-11-9-14;1-12-17(2,14-6-4-3-5-7-14)16(22)20(19-12)11-15(21)13-8-9-18-10-13/h9-12,16H,4-8,13H2,1-3H3;7-9,12,17H,4-6,10-11,13H2,1-3H3;6-7,10-11,15H,3-5,8-9,12H2,1-2H3;6-7,10-11,14H,3-5,8-9,12H2,1-2H3;8-11,15H,3-7,12H2,1-2H3;8-10,14,18H,3-7,11H2,1-2H3
InChIKeyGTHFBJPDYXJRGI-UHFFFAOYSA-N
XLogP21.13
TPSA349.24 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.93
LogP ≤ 521.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one?
The IUPAC name of 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one (CID 158359479) is 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one?
The canonical SMILES for 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one is CC1=NN(CC(=O)c2cc[nH]c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2cccc(C)c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2cccc(Cl)c2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2ccccn2)C(=O)C1(C)C1CCCCC1.CC1=NN(CC(=O)c2ccncc2)C(=O)C1(C)C1CCCCC1.COc1ccc(C(=O)CN2N=C(C)C(C)(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one?
The InChIKey is GTHFBJPDYXJRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.C20H26N2O2.C19H23ClN2O2.2C18H23N3O2.C17H23N3O2/c1-14-20(2,16-7-5-4-6-8-16)19(24)22(21-14)13-18(23)15-9-11-17(25-3)12-10-15;1-14-8-7-9-16(12-14)18(23)13-22-19(24)20(3,15(2)21-22)17-10-5-4-6-11-17;1-13-19(2,15-8-4-3-5-9-15)18(24)22(21-13)12-17(23)14-7-6-10-16(20)11-14;1-13-18(2,14-8-4-3-5-9-14)17(23)21(20-13)12-16(22)15-10-6-7-11-19-15;1-13-18(2,15-6-4-3-5-7-15)17(23)21(20-13)12-16(22)14-8-10-19-11-9-14;1-12-17(2,14-6-4-3-5-7-14)16(22)20(19-12)11-15(21)13-8-9-18-10-13/h9-12,16H,4-8,13H2,1-3H3;7-9,12,17H,4-6,10-11,13H2,1-3H3;6-7,10-11,15H,3-5,8-9,12H2,1-2H3;6-7,10-11,14H,3-5,8-9,12H2,1-2H3;8-11,15H,3-7,12H2,1-2H3;8-10,14,18H,3-7,11H2,1-2H3.
What are the key properties of 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one?
2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one has a molecular weight of 1943.93 g/mol, XLogP of 21.13, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-2-oxoethyl]-4-cyclohexyl-4,5-dimethylpyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-(3-methylphenyl)-2-oxoethyl]pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-2-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-(2-oxo-2-pyridin-4-ylethyl)pyrazol-3-one;4-cyclohexyl-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]pyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one is sourced from PubChem (CID 158359479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).