N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C115H123F3N20O10 — CID 157376945

About N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 157376945) has the molecular formula C115H123F3N20O10 and a molecular weight of 2002.37 g/mol. Its IUPAC name is N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 157376945
• Molecular Formula: C115H123F3N20O10
• Molecular Weight: 2002.37 g/mol
• Exact Mass: 2000.97
• IUPAC Name: N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CC(C)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CCC(C)(C)NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NC1CC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NC1CCCCC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NCC(F)(F)F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1
• InChI: InChI=1S/C25H28N4O2.C24H28N4O2.C23H26N4O2.C22H22N4O2.C21H19F3N4O2/c30-25(27-20-7-2-1-3-8-20)24-18-28(22-9-4-5-10-23(22)31-24)17-19-11-13-21(14-12-19)29-16-6-15-26-29;1-4-24(2,3)26-23(29)22-17-27(20-8-5-6-9-21(20)30-22)16-18-10-12-19(13-11-18)28-15-7-14-25-28;1-17(2)14-24-23(28)22-16-26(20-6-3-4-7-21(20)29-22)15-18-8-10-19(11-9-18)27-13-5-12-25-27;27-22(24-17-8-9-17)21-15-25(19-4-1-2-5-20(19)28-21)14-16-6-10-18(11-7-16)26-13-3-12-23-26;22-21(23,24)14-25-20(29)19-13-27(17-4-1-2-5-18(17)30-19)12-15-6-8-16(9-7-15)28-11-3-10-26-28/h4-6,9-16,20,24H,1-3,7-8,17-18H2,(H,27,30);5-15,22H,4,16-17H2,1-3H3,(H,26,29);3-13,17,22H,14-16H2,1-2H3,(H,24,28);1-7,10-13,17,21H,8-9,14-15H2,(H,24,27);1-11,19H,12-14H2,(H,25,29)
• InChIKey: BKKWLAGVIQTVDQ-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 296.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.37
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 157376945) is N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(C)CNC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.CCC(C)(C)NC(=O)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NC1CC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NC1CCCCC1)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.O=C(NCC(F)(F)F)C1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1.

What is the InChIKey of N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is BKKWLAGVIQTVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C24H28N4O2.C23H26N4O2.C22H22N4O2.C21H19F3N4O2/c30-25(27-20-7-2-1-3-8-20)24-18-28(22-9-4-5-10-23(22)31-24)17-19-11-13-21(14-12-19)29-16-6-15-26-29;1-4-24(2,3)26-23(29)22-17-27(20-8-5-6-9-21(20)30-22)16-18-10-12-19(13-11-18)28-15-7-14-25-28;1-17(2)14-24-23(28)22-16-26(20-6-3-4-7-21(20)29-22)15-18-8-10-19(11-9-18)27-13-5-12-25-27;27-22(24-17-8-9-17)21-15-25(19-4-1-2-5-20(19)28-21)14-16-6-10-18(11-7-16)26-13-3-12-23-26;22-21(23,24)14-25-20(29)19-13-27(17-4-1-2-5-18(17)30-19)12-15-6-8-16(9-7-15)28-11-3-10-26-28/h4-6,9-16,20,24H,1-3,7-8,17-18H2,(H,27,30);5-15,22H,4,16-17H2,1-3H3,(H,26,29);3-13,17,22H,14-16H2,1-2H3,(H,24,28);1-7,10-13,17,21H,8-9,14-15H2,(H,24,27);1-11,19H,12-14H2,(H,25,29).

What are the key properties of N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 2002.37 g/mol, XLogP of 17.68, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylbutan-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;N-(2-methylpropyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide;4-[(4-pyrazol-1-ylphenyl)methyl]-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 157376945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).