N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C86H126F8N12O5 — CID 159856896

About N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 159856896) has the molecular formula C86H126F8N12O5 and a molecular weight of 1560.02 g/mol. Its IUPAC name is N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
• PubChem CID: 159856896
• Molecular Formula: C86H126F8N12O5
• Molecular Weight: 1560.02 g/mol
• Exact Mass: 1558.98
• IUPAC Name: N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
• SMILES: CCCCN(C)Cc1[nH]ncc1-c1cc(OCCC(C)C)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCC2CCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCC(C)C)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCOC)cc(C(C)(F)F)c1
• InChI: InChI=1S/C22H31F2N3O.2C22H33F2N3O.C20H29F2N3O2/c1-4-5-9-27(3)14-18-13-25-26-21(18)17-10-19(22(2,23)24)12-20(11-17)28-15-16-7-6-8-16;1-6-7-9-27(5)15-18-14-25-26-21(18)17-11-19(22(4,23)24)13-20(12-17)28-10-8-16(2)3;1-6-7-9-27(5)15-21-20(14-25-26-21)17-11-18(22(4,23)24)13-19(12-17)28-10-8-16(2)3;1-5-6-7-25(3)14-16-13-23-24-19(16)15-10-17(20(2,21)22)12-18(11-15)27-9-8-26-4/h10-13,16H,4-9,14-15H2,1-3H3,(H,25,26);2*11-14,16H,6-10,15H2,1-5H3,(H,25,26);10-13H,5-9,14H2,1-4H3,(H,23,24)
• InChIKey: NQQJFPLZJOTJSE-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 173.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 43
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.02
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	4
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-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

The IUPAC name of N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 159856896) is N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

What is the SMILES notation for N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

The canonical SMILES for N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1[nH]ncc1-c1cc(OCCC(C)C)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCC2CCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCC(C)C)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCOC)cc(C(C)(F)F)c1.

What is the InChIKey of N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

The InChIKey is NQQJFPLZJOTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O.2C22H33F2N3O.C20H29F2N3O2/c1-4-5-9-27(3)14-18-13-25-26-21(18)17-10-19(22(2,23)24)12-20(11-17)28-15-16-7-6-8-16;1-6-7-9-27(5)15-18-14-25-26-21(18)17-11-19(22(4,23)24)13-20(12-17)28-10-8-16(2)3;1-6-7-9-27(5)15-21-20(14-25-26-21)17-11-18(22(4,23)24)13-19(12-17)28-10-8-16(2)3;1-5-6-7-25(3)14-16-13-23-24-19(16)15-10-17(20(2,21)22)12-18(11-15)27-9-8-26-4/h10-13,16H,4-9,14-15H2,1-3H3,(H,25,26);2*11-14,16H,6-10,15H2,1-5H3,(H,25,26);10-13H,5-9,14H2,1-4H3,(H,23,24).

What are the key properties of N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?

N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 1560.02 g/mol, XLogP of 21.74, 43 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-(cyclobutylmethoxy)-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 159856896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).