N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol

C116H109F9N30O7 — CID 165019054

About N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol

N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol (PubChem CID 165019054) has the molecular formula C116H109F9N30O7 and a molecular weight of 2206.33 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol.

Molecular Properties

• Compound Name: N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol
• PubChem CID: 165019054
• Molecular Formula: C116H109F9N30O7
• Molecular Weight: 2206.33 g/mol
• Exact Mass: 2204.90
• IUPAC Name: N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol
• SMILES: CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1O.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OC(F)F.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCF.CCOc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1.COCCOc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1.COc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1
• InChI: InChI=1S/C21H22FN5O2.C20H20FN5O.C19H16F3N5O.C19H17F2N5O.C19H18FN5O.C18H16FN5O/c1-14(17-11-16(22)3-4-19(17)29-10-9-28-2)25-20-6-8-27-21(26-20)18(13-24-27)15-5-7-23-12-15;1-3-27-18-5-4-15(21)10-16(18)13(2)24-19-7-9-26-20(25-19)17(12-23-26)14-6-8-22-11-14;1-11(14-8-13(20)2-3-16(14)28-19(21)22)25-17-5-7-27-18(26-17)15(10-24-27)12-4-6-23-9-12;1-12(15-8-14(21)2-3-17(15)27-11-20)24-18-5-7-26-19(25-18)16(10-23-26)13-4-6-22-9-13;1-12(15-9-14(20)3-4-17(15)26-2)23-18-6-8-25-19(24-18)16(11-22-25)13-5-7-21-10-13;1-11(14-8-13(19)2-3-16(14)25)22-17-5-7-24-18(23-17)15(10-21-24)12-4-6-20-9-12/h3-8,11-14,23H,9-10H2,1-2H3,(H,25,26);4-13,22H,3H2,1-2H3,(H,24,25);2-11,19,23H,1H3,(H,25,26);2-10,12,22H,11H2,1H3,(H,24,25);3-12,21H,1-2H3,(H,23,24);2-11,20,25H,1H3,(H,22,23)
• InChIKey: KWKBTMCOONVXDR-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 423.67 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.33
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol?

The IUPAC name of N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol (CID 165019054) is N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol.

What is the SMILES notation for N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol?

The canonical SMILES for N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol is CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1O.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OC(F)F.CC(Nc1ccn2ncc(-c3cc[nH]c3)c2n1)c1cc(F)ccc1OCF.CCOc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1.COCCOc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1.COc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cc[nH]c3)c2n1.

What is the InChIKey of N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol?

The InChIKey is KWKBTMCOONVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2.C20H20FN5O.C19H16F3N5O.C19H17F2N5O.C19H18FN5O.C18H16FN5O/c1-14(17-11-16(22)3-4-19(17)29-10-9-28-2)25-20-6-8-27-21(26-20)18(13-24-27)15-5-7-23-12-15;1-3-27-18-5-4-15(21)10-16(18)13(2)24-19-7-9-26-20(25-19)17(12-23-26)14-6-8-22-11-14;1-11(14-8-13(20)2-3-16(14)28-19(21)22)25-17-5-7-27-18(26-17)15(10-24-27)12-4-6-23-9-12;1-12(15-8-14(21)2-3-17(15)27-11-20)24-18-5-7-26-19(25-18)16(10-23-26)13-4-6-22-9-13;1-12(15-9-14(20)3-4-17(15)26-2)23-18-6-8-25-19(24-18)16(11-22-25)13-5-7-21-10-13;1-11(14-8-13(19)2-3-16(14)25)22-17-5-7-24-18(23-17)15(10-21-24)12-4-6-20-9-12/h3-8,11-14,23H,9-10H2,1-2H3,(H,25,26);4-13,22H,3H2,1-2H3,(H,24,25);2-11,19,23H,1H3,(H,25,26);2-10,12,22H,11H2,1H3,(H,24,25);3-12,21H,1-2H3,(H,23,24);2-11,20,25H,1H3,(H,22,23).

What are the key properties of N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol?

N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol has a molecular weight of 2206.33 g/mol, XLogP of 25.26, 35 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(fluoromethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-fluoro-2-[1-[[3-(1H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]phenol is sourced from PubChem (CID 165019054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).