(1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C53H47Cl7F3N11O7 — CID 165055666

About (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate

(1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 165055666) has the molecular formula C53H47Cl7F3N11O7 and a molecular weight of 1255.19 g/mol. Its IUPAC name is (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 165055666
• Molecular Formula: C53H47Cl7F3N11O7
• Molecular Weight: 1255.19 g/mol
• Exact Mass: 1251.14
• IUPAC Name: (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2ccc(Cl)nc12.CCOC(=O)c1cnn2ccc(O[C@H](C)c3c(Cl)ccc(F)c3Cl)nc12.C[C@@H](O)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1ccn2ncc(C3=NCC(C)(C)N3)c2n1)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C19H18Cl2FN5O.C17H14Cl2FN3O3.C9H8ClN3O2.C8H7Cl2FO/c1-10(15-12(20)4-5-13(22)16(15)21)28-14-6-7-27-18(25-14)11(8-24-27)17-23-9-19(2,3)26-17;1-3-25-17(24)10-8-21-23-7-6-13(22-16(10)23)26-9(2)14-11(18)4-5-12(20)15(14)19;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;1-4(12)7-5(9)2-3-6(11)8(7)10/h4-8,10H,9H2,1-3H3,(H,23,26);4-9H,3H2,1-2H3;3-5H,2H2,1H3;2-4,12H,1H3/t10-;9-;;4-/m11.1/s1
• InChIKey: QJGXUXJXFMYJTN-IPMKBAQHSA-N
• XLogP: 13.68
• TPSA: 206.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.19
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 165055666) is (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(Cl)nc12.CCOC(=O)c1cnn2ccc(O[C@H](C)c3c(Cl)ccc(F)c3Cl)nc12.C[C@@H](O)c1c(Cl)ccc(F)c1Cl.C[C@@H](Oc1ccn2ncc(C3=NCC(C)(C)N3)c2n1)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is QJGXUXJXFMYJTN-IPMKBAQHSA-N. The full InChI is InChI=1S/C19H18Cl2FN5O.C17H14Cl2FN3O3.C9H8ClN3O2.C8H7Cl2FO/c1-10(15-12(20)4-5-13(22)16(15)21)28-14-6-7-27-18(25-14)11(8-24-27)17-23-9-19(2,3)26-17;1-3-25-17(24)10-8-21-23-7-6-13(22-16(10)23)26-9(2)14-11(18)4-5-12(20)15(14)19;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;1-4(12)7-5(9)2-3-6(11)8(7)10/h4-8,10H,9H2,1-3H3,(H,23,26);4-9H,3H2,1-2H3;3-5H,2H2,1H3;2-4,12H,1H3/t10-;9-;;4-/m11.1/s1.

What are the key properties of (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

(1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 1255.19 g/mol, XLogP of 13.68, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol;5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)pyrazolo[1,5-a]pyrimidine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 165055666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).