4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol

C73H67F6N15O13 — CID 158246216

About 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol

4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol (PubChem CID 158246216) has the molecular formula C73H67F6N15O13 and a molecular weight of 1476.42 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol.

Molecular Properties

• Compound Name: 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol
• PubChem CID: 158246216
• Molecular Formula: C73H67F6N15O13
• Molecular Weight: 1476.42 g/mol
• Exact Mass: 1475.49
• IUPAC Name: 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol
• SMILES: C.CN(CC=O)C(=O)c1ccc(-n2cc(CC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.CN(CCO)C(=O)c1ccc(-n2cc(CC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.CNCCO.O=C(O)c1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)c3)c(C(F)F)n2)cc1
• InChI: InChI=1S/C24H21F2N5O4.C24H19F2N5O4.C21H14F2N4O4.C3H9NO.CH4/c2*1-30(10-11-32)24(34)16-2-4-18(5-3-16)31-13-17(21(29-31)22(25)26)12-20(33)19-14-35-23(28-19)15-6-8-27-9-7-15;22-19(23)18-16(10-27(26-18)15-3-1-13(2-4-15)21(29)30)25-20(28)14-9-17(31-11-14)12-5-7-24-8-6-12;1-4-2-3-5;/h2-9,13-14,22,32H,10-12H2,1H3;2-9,11,13-14,22H,10,12H2,1H3;1-11,19H,(H,25,28)(H,29,30);4-5H,2-3H2,1H3;1H4
• InChIKey: GGDLQZSPHZNWHI-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 368.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1476.42
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol?

The IUPAC name of 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol (CID 158246216) is 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol.

What is the SMILES notation for 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol?

The canonical SMILES for 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol is C.CN(CC=O)C(=O)c1ccc(-n2cc(CC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.CN(CCO)C(=O)c1ccc(-n2cc(CC(=O)c3coc(-c4ccncc4)n3)c(C(F)F)n2)cc1.CNCCO.O=C(O)c1ccc(-n2cc(NC(=O)c3coc(-c4ccncc4)c3)c(C(F)F)n2)cc1.

What is the InChIKey of 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol?

The InChIKey is GGDLQZSPHZNWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4.C24H19F2N5O4.C21H14F2N4O4.C3H9NO.CH4/c2*1-30(10-11-32)24(34)16-2-4-18(5-3-16)31-13-17(21(29-31)22(25)26)12-20(33)19-14-35-23(28-19)15-6-8-27-9-7-15;22-19(23)18-16(10-27(26-18)15-3-1-13(2-4-15)21(29)30)25-20(28)14-9-17(31-11-14)12-5-7-24-8-6-12;1-4-2-3-5;/h2-9,13-14,22,32H,10-12H2,1H3;2-9,11,13-14,22H,10,12H2,1H3;1-11,19H,(H,25,28)(H,29,30);4-5H,2-3H2,1H3;1H4.

What are the key properties of 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol?

4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol has a molecular weight of 1476.42 g/mol, XLogP of 11.16, 26 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;4-[3-(difluoromethyl)-4-[2-oxo-2-(2-pyridin-4-yl-1,3-oxazol-4-yl)ethyl]pyrazol-1-yl]-N-methyl-N-(2-oxoethyl)benzamide;4-[3-(difluoromethyl)-4-[(5-pyridin-4-ylfuran-3-carbonyl)amino]pyrazol-1-yl]benzoic acid;methane;2-(methylamino)ethanol is sourced from PubChem (CID 158246216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).