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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one

C93H121N13O12 — CID 157372566

IUPAC4-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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-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)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.COc1cccc(C(=O)CN2N=C(C)C(C)(C3CCCCC3)C2=O)c1
InChIInChI=1S/2C20H26N2O3.2C18H23N3O2.C17H23N3O2/c1-14-20(2,16-9-5-4-6-10-16)19(24)22(21-14)13-18(23)15-8-7-11-17(12-15)25-3;1-14-20(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;1-13-18(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/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3;9-12,16H,4-8,13H2,1-3H3;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
InChIKeyBJXYZPOTXCHEIS-UHFFFAOYSA-N
MW1613.07 g/mol
LogP16.51
Rot. Bonds22

About 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one (PubChem CID 157372566) has the molecular formula C93H121N13O12 and a molecular weight of 1613.07 g/mol. Its IUPAC name is 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one.

Molecular Properties

Compound Name4-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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one
PubChem CID157372566
Molecular FormulaC93H121N13O12
Molecular Weight1613.07 g/mol
Exact Mass1611.93
IUPAC Name4-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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-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)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.COc1cccc(C(=O)CN2N=C(C)C(C)(C3CCCCC3)C2=O)c1
InChIInChI=1S/2C20H26N2O3.2C18H23N3O2.C17H23N3O2/c1-14-20(2,16-9-5-4-6-10-16)19(24)22(21-14)13-18(23)15-8-7-11-17(12-15)25-3;1-14-20(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;1-13-18(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/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3;9-12,16H,4-8,13H2,1-3H3;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
InChIKeyBJXYZPOTXCHEIS-UHFFFAOYSA-N
XLogP16.51
TPSA308.73 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.07
LogP ≤ 516.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-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 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one?
The IUPAC name of 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one (CID 157372566) is 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one.
What is the SMILES notation for 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one?
The canonical SMILES for 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-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)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.COc1cccc(C(=O)CN2N=C(C)C(C)(C3CCCCC3)C2=O)c1.
What is the InChIKey of 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one?
The InChIKey is BJXYZPOTXCHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H26N2O3.2C18H23N3O2.C17H23N3O2/c1-14-20(2,16-9-5-4-6-10-16)19(24)22(21-14)13-18(23)15-8-7-11-17(12-15)25-3;1-14-20(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;1-13-18(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/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3;9-12,16H,4-8,13H2,1-3H3;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 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one has a molecular weight of 1613.07 g/mol, XLogP of 16.51, 22 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one;4-cyclohexyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-dimethylpyrazol-3-one is sourced from PubChem (CID 157372566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).