(NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide

C95H86F15N37O7 — CID 172966464

About (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide

(NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 172966464) has the molecular formula C95H86F15N37O7 and a molecular weight of 2142.95 g/mol. Its IUPAC name is (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

• Compound Name: (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
• PubChem CID: 172966464
• Molecular Formula: C95H86F15N37O7
• Molecular Weight: 2142.95 g/mol
• Exact Mass: 2141.73
• IUPAC Name: (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
• SMILES: C/C(=N\O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3C(F)F)nc12.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc2nccnc12.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1OC(F)(F)F
• InChI: InChI=1S/C17H16F3N5O.C17H15FN8O.C16H14F4N6O2.C15H13F3N6O.2C15H14F2N6O/c1-9(13-7-11(18)3-4-12(13)16(19)20)22-15-5-6-25-17(23-15)14(8-21-25)10(2)24-26;1-9(11-6-10(18)7-13-15(11)21-4-3-20-13)23-14-2-5-26-17(24-14)12(8-22-26)16(19)25-27;1-8(10-6-9(17)2-3-12(10)28-16(18,19)20)23-13-4-5-26-15(24-13)11(7-22-26)14(21)25-27;1-7(9-4-8(16)5-11(17)13(9)18)21-12-2-3-24-15(22-12)10(6-20-24)14(19)23-25;1-8(9-4-10(16)6-11(17)5-9)20-13-2-3-23-15(21-13)12(7-19-23)14(18)22-24;1-8(10-6-9(16)2-3-12(10)17)20-13-4-5-23-15(21-13)11(7-19-23)14(18)22-24/h3-9,16,26H,1-2H3,(H,22,23);2-9,27H,1H3,(H2,19,25)(H,23,24);2-8,27H,1H3,(H2,21,25)(H,23,24);2-7,25H,1H3,(H2,19,23)(H,21,22);2*2-8,24H,1H3,(H2,18,22)(H,20,21)/b24-10+;;;;;/t2*9-;8-;7-;2*8-/m111111/s1
• InChIKey: YQFYMGFAGLVPFA-BXILXPMOSA-N
• XLogP: 16.26
• TPSA: 613.97 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.95
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?

The IUPAC name of (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 172966464) is (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide.

What is the SMILES notation for (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?

The canonical SMILES for (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide is C/C(=N\O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3C(F)F)nc12.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc(F)c1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)cc2nccnc12.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1F.C[C@@H](Nc1ccn2ncc(/C(N)=N/O)c2n1)c1cc(F)ccc1OC(F)(F)F.

What is the InChIKey of (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?

The InChIKey is YQFYMGFAGLVPFA-BXILXPMOSA-N. The full InChI is InChI=1S/C17H16F3N5O.C17H15FN8O.C16H14F4N6O2.C15H13F3N6O.2C15H14F2N6O/c1-9(13-7-11(18)3-4-12(13)16(19)20)22-15-5-6-25-17(23-15)14(8-21-25)10(2)24-26;1-9(11-6-10(18)7-13-15(11)21-4-3-20-13)23-14-2-5-26-17(24-14)12(8-22-26)16(19)25-27;1-8(10-6-9(17)2-3-12(10)28-16(18,19)20)23-13-4-5-26-15(24-13)11(7-22-26)14(21)25-27;1-7(9-4-8(16)5-11(17)13(9)18)21-12-2-3-24-15(22-12)10(6-20-24)14(19)23-25;1-8(9-4-10(16)6-11(17)5-9)20-13-2-3-23-15(21-13)12(7-19-23)14(18)22-24;1-8(10-6-9(16)2-3-12(10)17)20-13-4-5-23-15(21-13)11(7-19-23)14(18)22-24/h3-9,16,26H,1-2H3,(H,22,23);2-9,27H,1H3,(H2,19,25)(H,23,24);2-8,27H,1H3,(H2,21,25)(H,23,24);2-7,25H,1H3,(H2,19,23)(H,21,22);2*2-8,24H,1H3,(H2,18,22)(H,20,21)/b24-10+;;;;;/t2*9-;8-;7-;2*8-/m111111/s1.

What are the key properties of (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide?

(NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 2142.95 g/mol, XLogP of 16.26, 26 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (NE)-N-[1-[5-[[(1R)-1-[2-(difluoromethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]ethylidene]hydroxylamine;5-[[(1R)-1-(2,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(3,5-difluorophenyl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-(7-fluoroquinoxalin-5-yl)ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;5-[[(1R)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N'-hydroxy-5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 172966464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).