[2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

C114H143ClF2N22O5 — CID 160860275

About [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone

[2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (PubChem CID 160860275) has the molecular formula C114H143ClF2N22O5 and a molecular weight of 1975.00 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.

Molecular Properties

• Compound Name: [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
• PubChem CID: 160860275
• Molecular Formula: C114H143ClF2N22O5
• Molecular Weight: 1975.00 g/mol
• Exact Mass: 1973.13
• IUPAC Name: [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
• SMILES: CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(N(C)C)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(N(C)C)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccccc3Cl)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccccc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(C3CCCCC3)nn12
• InChI: InChI=1S/C24H30FN5O.C24H31N5O.C22H25ClN4O.C22H25FN4O.C22H32N4O/c1-5-17-14-22(24(31)29-12-8-6-7-9-16(29)2)26-23-15-21(27-30(17)23)19-11-10-18(28(3)4)13-20(19)25;1-5-19-15-22(24(30)28-14-8-6-7-9-17(28)2)25-23-16-21(26-29(19)23)18-10-12-20(13-11-18)27(3)4;2*1-3-16-13-20(22(28)26-12-8-4-5-9-15(26)2)24-21-14-19(25-27(16)21)17-10-6-7-11-18(17)23;1-3-18-14-20(22(27)25-13-9-5-6-10-16(25)2)23-21-15-19(24-26(18)21)17-11-7-4-8-12-17/h10-11,13-16H,5-9,12H2,1-4H3;10-13,15-17H,5-9,14H2,1-4H3;2*6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3;14-17H,3-13H2,1-2H3
• InChIKey: SKJRZBJIXUSFOT-UHFFFAOYSA-N
• XLogP: 23.26
• TPSA: 258.98 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1975.00
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The IUPAC name of [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone (CID 160860275) is [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone.

What is the SMILES notation for [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The canonical SMILES for [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(N(C)C)cc3)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(N(C)C)cc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccccc3Cl)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccccc3F)nn12.CCc1cc(C(=O)N2CCCCCC2C)nc2cc(C3CCCCC3)nn12.

What is the InChIKey of [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

The InChIKey is SKJRZBJIXUSFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O.C24H31N5O.C22H25ClN4O.C22H25FN4O.C22H32N4O/c1-5-17-14-22(24(31)29-12-8-6-7-9-16(29)2)26-23-15-21(27-30(17)23)19-11-10-18(28(3)4)13-20(19)25;1-5-19-15-22(24(30)28-14-8-6-7-9-17(28)2)25-23-16-21(26-29(19)23)18-10-12-20(13-11-18)27(3)4;2*1-3-16-13-20(22(28)26-12-8-4-5-9-15(26)2)24-21-14-19(25-27(16)21)17-10-6-7-11-18(17)23;1-3-18-14-20(22(27)25-13-9-5-6-10-16(25)2)23-21-15-19(24-26(18)21)17-11-7-4-8-12-17/h10-11,13-16H,5-9,12H2,1-4H3;10-13,15-17H,5-9,14H2,1-4H3;2*6-7,10-11,13-15H,3-5,8-9,12H2,1-2H3;14-17H,3-13H2,1-2H3.

What are the key properties of [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone?

[2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone has a molecular weight of 1975.00 g/mol, XLogP of 23.26, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;(2-cyclohexyl-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl)-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)-2-fluorophenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[2-[4-(dimethylamino)phenyl]-7-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone;[7-ethyl-2-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 160860275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).