N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C85H110ClF13N14O6 — CID 158125297

About N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158125297) has the molecular formula C85H110ClF13N14O6 and a molecular weight of 1706.33 g/mol. Its IUPAC name is N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• PubChem CID: 158125297
• Molecular Formula: C85H110ClF13N14O6
• Molecular Weight: 1706.33 g/mol
• Exact Mass: 1704.82
• IUPAC Name: N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• SMILES: CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCC2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Oc2cccnc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCOC)c(Cl)c(C(C)(F)F)c1F.CNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCOCC2)c1F
• InChI: InChI=1S/C22H25F3N4O.C22H30F3N3O.C21H28F4N4O2.C20H27ClF3N3O2/c1-4-5-9-29(3)14-16-12-27-28-21(16)19-10-17(22(23,24)25)11-20(15(19)2)30-18-7-6-8-26-13-18;1-4-5-9-28(3)13-17-12-26-27-21(17)19-10-18(22(23,24)25)11-20(15(19)2)29-14-16-7-6-8-16;1-26-5-6-29(2)12-15-11-27-28-20(15)17-9-16(21(23,24)25)10-18(19(17)22)31-13-14-3-7-30-8-4-14;1-5-6-7-27(3)12-13-11-25-26-19(13)14-10-15(29-9-8-28-4)17(21)16(18(14)22)20(2,23)24/h6-8,10-13H,4-5,9,14H2,1-3H3,(H,27,28);10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);9-11,14,26H,3-8,12-13H2,1-2H3,(H,27,28);10-11H,5-9,12H2,1-4H3,(H,25,26)
• InChIKey: FSCAZHHRMIXBKF-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 207.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.33
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The IUPAC name of N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158125297) is N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

What is the SMILES notation for N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The canonical SMILES for N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCC2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(Oc2cccnc2)c1C.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCOC)c(Cl)c(C(C)(F)F)c1F.CNCCN(C)Cc1cn[nH]c1-c1cc(C(F)(F)F)cc(OCC2CCOCC2)c1F.

What is the InChIKey of N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The InChIKey is FSCAZHHRMIXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O.C22H30F3N3O.C21H28F4N4O2.C20H27ClF3N3O2/c1-4-5-9-29(3)14-16-12-27-28-21(16)19-10-17(22(23,24)25)11-20(15(19)2)30-18-7-6-8-26-13-18;1-4-5-9-28(3)13-17-12-26-27-21(17)19-10-18(22(23,24)25)11-20(15(19)2)29-14-16-7-6-8-16;1-26-5-6-29(2)12-15-11-27-28-20(15)17-9-16(21(23,24)25)10-18(19(17)22)31-13-14-3-7-30-8-4-14;1-5-6-7-27(3)12-13-11-25-26-19(13)14-10-15(29-9-8-28-4)17(21)16(18(14)22)20(2,23)24/h6-8,10-13H,4-5,9,14H2,1-3H3,(H,27,28);10-12,16H,4-9,13-14H2,1-3H3,(H,26,27);9-11,14,26H,3-8,12-13H2,1-2H3,(H,27,28);10-11H,5-9,12H2,1-4H3,(H,25,26).

What are the key properties of N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1706.33 g/mol, XLogP of 20.57, 37 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-chloro-3-(1,1-difluoroethyl)-2-fluoro-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(cyclobutylmethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[2-fluoro-3-(oxan-4-ylmethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;N-methyl-N-[[5-[2-methyl-3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158125297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).