1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one

C150H157N21O14 — CID 160626074

About 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one

1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one (PubChem CID 160626074) has the molecular formula C150H157N21O14 and a molecular weight of 2478.04 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one
• PubChem CID: 160626074
• Molecular Formula: C150H157N21O14
• Molecular Weight: 2478.04 g/mol
• Exact Mass: 2476.22
• IUPAC Name: 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one
• SMILES: Cn1cc(-c2ccc(C(=O)Cc3cccnc3)c(OCc3ccccc3)c2)cn1.Cn1cc(-c2ccc(C(=O)Cc3ccncc3)c(OCc3ccccc3)c2)cn1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1O.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1=O.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCCN1CCOCC1
• InChI: InChI=1S/C27H32N4O3.C27H30N4O3.C27H32N4O2.2C24H21N3O2.C21H21N3O2/c32-26(16-20-1-2-21-5-7-28-8-6-23(21)15-20)25-4-3-22(24-18-29-30-19-24)17-27(25)34-14-11-31-9-12-33-13-10-31;32-25(15-19-3-4-20-7-9-28-10-8-22(20)14-19)24-6-5-21(23-17-29-30-18-23)16-26(24)34-13-12-31-11-1-2-27(31)33;32-26(16-20-3-4-21-7-9-28-10-8-23(21)15-20)25-6-5-22(24-18-29-30-19-24)17-27(25)33-14-13-31-11-1-2-12-31;1-27-16-21(15-26-27)20-9-10-22(23(28)12-19-8-5-11-25-14-19)24(13-20)29-17-18-6-3-2-4-7-18;1-27-16-21(15-26-27)20-7-8-22(23(28)13-18-9-11-25-12-10-18)24(14-20)29-17-19-5-3-2-4-6-19;25-20(10-14-1-2-15-5-7-22-8-6-17(15)9-14)19-4-3-16(11-21(19)26)18-12-23-24-13-18/h1-4,15,17-19,28H,5-14,16H2,(H,29,30);3-6,14,16-18,28H,1-2,7-13,15H2,(H,29,30);3-6,15,17-19,28H,1-2,7-14,16H2,(H,29,30);2-11,13-16H,12,17H2,1H3;2-12,14-16H,13,17H2,1H3;1-4,9,11-13,22,26H,5-8,10H2,(H,23,24)
• InChIKey: RHHUSNQNKSTKNX-UHFFFAOYSA-N
• XLogP: 21.63
• TPSA: 429.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 42
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.04
LogP ≤ 5	21.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one (CID 160626074) is 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one is Cn1cc(-c2ccc(C(=O)Cc3cccnc3)c(OCc3ccccc3)c2)cn1.Cn1cc(-c2ccc(C(=O)Cc3ccncc3)c(OCc3ccccc3)c2)cn1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1O.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1=O.O=C(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2cn[nH]c2)cc1OCCN1CCOCC1.

What is the InChIKey of 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one?

The InChIKey is RHHUSNQNKSTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3.C27H30N4O3.C27H32N4O2.2C24H21N3O2.C21H21N3O2/c32-26(16-20-1-2-21-5-7-28-8-6-23(21)15-20)25-4-3-22(24-18-29-30-19-24)17-27(25)34-14-11-31-9-12-33-13-10-31;32-25(15-19-3-4-20-7-9-28-10-8-22(20)14-19)24-6-5-21(23-17-29-30-18-23)16-26(24)34-13-12-31-11-1-2-27(31)33;32-26(16-20-3-4-21-7-9-28-10-8-23(21)15-20)25-6-5-22(24-18-29-30-19-24)17-27(25)33-14-13-31-11-1-2-12-31;1-27-16-21(15-26-27)20-9-10-22(23(28)12-19-8-5-11-25-14-19)24(13-20)29-17-18-6-3-2-4-7-18;1-27-16-21(15-26-27)20-7-8-22(23(28)13-18-9-11-25-12-10-18)24(14-20)29-17-19-5-3-2-4-6-19;25-20(10-14-1-2-15-5-7-22-8-6-17(15)9-14)19-4-3-16(11-21(19)26)18-12-23-24-13-18/h1-4,15,17-19,28H,5-14,16H2,(H,29,30);3-6,14,16-18,28H,1-2,7-13,15H2,(H,29,30);3-6,15,17-19,28H,1-2,7-14,16H2,(H,29,30);2-11,13-16H,12,17H2,1H3;2-12,14-16H,13,17H2,1H3;1-4,9,11-13,22,26H,5-8,10H2,(H,23,24).

What are the key properties of 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one?

1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one has a molecular weight of 2478.04 g/mol, XLogP of 21.63, 42 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-3-ylethanone;1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridin-4-ylethanone;1-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone;1-[2-[5-(1H-pyrazol-4-yl)-2-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetyl]phenoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 160626074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).