2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane

C55H84N6O10 — CID 144973811

About 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane

2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane (PubChem CID 144973811) has the molecular formula C55H84N6O10 and a molecular weight of 989.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane.

Molecular Properties

• Compound Name: 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane
• PubChem CID: 144973811
• Molecular Formula: C55H84N6O10
• Molecular Weight: 989.31 g/mol
• Exact Mass: 988.62
• IUPAC Name: 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane
• SMILES: CC.CC.CCC(C)Cn1nc(C(=O)NC(C(=O)O)C2CCCCC2)cc1-c1c(OC)cccc1OC.CCC(CC)Cn1nc(C(=O)NC(C(=O)O)C2CCCCC2)cc1-c1c(OC)cccc1OC
• InChI: InChI=1S/C26H37N3O5.C25H35N3O5.2C2H6/c1-5-17(6-2)16-29-20(23-21(33-3)13-10-14-22(23)34-4)15-19(28-29)25(30)27-24(26(31)32)18-11-8-7-9-12-18;1-5-16(2)15-28-19(22-20(32-3)12-9-13-21(22)33-4)14-18(27-28)24(29)26-23(25(30)31)17-10-7-6-8-11-17;2*1-2/h10,13-15,17-18,24H,5-9,11-12,16H2,1-4H3,(H,27,30)(H,31,32);9,12-14,16-17,23H,5-8,10-11,15H2,1-4H3,(H,26,29)(H,30,31);2*1-2H3
• InChIKey: SVQVCGZMHDZQGJ-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 205.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.31
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane?

The IUPAC name of 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane (CID 144973811) is 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane.

What is the SMILES notation for 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane?

The canonical SMILES for 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane is CC.CC.CCC(C)Cn1nc(C(=O)NC(C(=O)O)C2CCCCC2)cc1-c1c(OC)cccc1OC.CCC(CC)Cn1nc(C(=O)NC(C(=O)O)C2CCCCC2)cc1-c1c(OC)cccc1OC.

What is the InChIKey of 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane?

The InChIKey is SVQVCGZMHDZQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5.C25H35N3O5.2C2H6/c1-5-17(6-2)16-29-20(23-21(33-3)13-10-14-22(23)34-4)15-19(28-29)25(30)27-24(26(31)32)18-11-8-7-9-12-18;1-5-16(2)15-28-19(22-20(32-3)12-9-13-21(22)33-4)14-18(27-28)24(29)26-23(25(30)31)17-10-7-6-8-11-17;2*1-2/h10,13-15,17-18,24H,5-9,11-12,16H2,1-4H3,(H,27,30)(H,31,32);9,12-14,16-17,23H,5-8,10-11,15H2,1-4H3,(H,26,29)(H,30,31);2*1-2H3.

What are the key properties of 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane?

2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane has a molecular weight of 989.31 g/mol, XLogP of 11.20, 21 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane is sourced from PubChem (CID 144973811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).