N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)

C59H85Cl2F2N9O6 — CID 159650895

About N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)

N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine) (PubChem CID 159650895) has the molecular formula C59H85Cl2F2N9O6 and a molecular weight of 1125.29 g/mol. Its IUPAC name is N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine).

Molecular Properties

• Compound Name: N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)
• PubChem CID: 159650895
• Molecular Formula: C59H85Cl2F2N9O6
• Molecular Weight: 1125.29 g/mol
• Exact Mass: 1123.60
• IUPAC Name: N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)
• SMILES: CCCCCCCCCCN.CCCCCCCCCCN.CCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)ccn1.O=C(Nc1ccc([C@@H]2CNCCO2)c(Cl)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1
• InChI: InChI=1S/C21H19ClF2N4O3.C18H20ClN3O3.2C10H23N/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24;1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16;2*1-2-3-4-5-6-7-8-9-10-11/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29);3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23);2*2-11H2,1H3/t19-;16-;;/m01../s1
• InChIKey: MROAYAWSDACBNU-NUVXWKOESA-N
• XLogP: 13.26
• TPSA: 201.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 27
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1125.29
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)?

The IUPAC name of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine) (CID 159650895) is N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine).

What is the SMILES notation for N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)?

The canonical SMILES for N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine) is CCCCCCCCCCN.CCCCCCCCCCN.CCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)ccn1.O=C(Nc1ccc([C@@H]2CNCCO2)c(Cl)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1.

What is the InChIKey of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)?

The InChIKey is MROAYAWSDACBNU-NUVXWKOESA-N. The full InChI is InChI=1S/C21H19ClF2N4O3.C18H20ClN3O3.2C10H23N/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24;1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16;2*1-2-3-4-5-6-7-8-9-10-11/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29);3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23);2*2-11H2,1H3/t19-;16-;;/m01../s1.

What are the key properties of N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine)?

N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine) has a molecular weight of 1125.29 g/mol, XLogP of 13.26, 27 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide;bis(decan-1-amine) is sourced from PubChem (CID 159650895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).