N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C75H97Cl2F12N13O5 — CID 159108398

About N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 159108398) has the molecular formula C75H97Cl2F12N13O5 and a molecular weight of 1559.57 g/mol. Its IUPAC name is N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• PubChem CID: 159108398
• Molecular Formula: C75H97Cl2F12N13O5
• Molecular Weight: 1559.57 g/mol
• Exact Mass: 1557.69
• IUPAC Name: N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• SMILES: C.C.CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(Cl)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccc(OC(F)(F)F)cc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(F)c(Cl)c(C(F)(F)F)c1.COCCOc1cc(-c2[nH]ncc2CN(C)CCN)cc(C(F)F)c1
• InChI: InChI=1S/C24H28F3N3O3.C17H21ClF3N3.C17H24F2N4O2.C15H16ClF4N3.2CH4/c1-3-4-13-30(2)17-19-16-28-29-23(19)18-5-7-20(8-6-18)31-14-15-32-21-9-11-22(12-10-21)33-24(25,26)27;1-4-5-6-24(3)10-13-9-22-23-16(13)12-7-11(2)15(18)14(8-12)17(19,20)21;1-23(4-3-20)11-14-10-21-22-16(14)12-7-13(17(18)19)9-15(8-12)25-6-5-24-2;1-3-4-23(2)8-10-7-21-22-14(10)9-5-11(15(18,19)20)13(16)12(17)6-9;;/h5-12,16H,3-4,13-15,17H2,1-2H3,(H,28,29);7-9H,4-6,10H2,1-3H3,(H,22,23);7-10,17H,3-6,11,20H2,1-2H3,(H,21,22);5-7H,3-4,8H2,1-2H3,(H,21,22);2*1H4
• InChIKey: KEEGZZHRJYVPHA-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 199.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 33
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.57
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The IUPAC name of N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 159108398) is N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

What is the SMILES notation for N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The canonical SMILES for N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(Cl)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccc(OC(F)(F)F)cc2)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(F)c(Cl)c(C(F)(F)F)c1.COCCOc1cc(-c2[nH]ncc2CN(C)CCN)cc(C(F)F)c1.

What is the InChIKey of N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The InChIKey is KEEGZZHRJYVPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3.C17H21ClF3N3.C17H24F2N4O2.C15H16ClF4N3.2CH4/c1-3-4-13-30(2)17-19-16-28-29-23(19)18-5-7-20(8-6-18)31-14-15-32-21-9-11-22(12-10-21)33-24(25,26)27;1-4-5-6-24(3)10-13-9-22-23-16(13)12-7-11(2)15(18)14(8-12)17(19,20)21;1-23(4-3-20)11-14-10-21-22-16(14)12-7-13(17(18)19)9-15(8-12)25-6-5-24-2;1-3-4-23(2)8-10-7-21-22-14(10)9-5-11(15(18,19)20)13(16)12(17)6-9;;/h5-12,16H,3-4,13-15,17H2,1-2H3,(H,28,29);7-9H,4-6,10H2,1-3H3,(H,22,23);7-10,17H,3-6,11,20H2,1-2H3,(H,21,22);5-7H,3-4,8H2,1-2H3,(H,21,22);2*1H4.

What are the key properties of N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1559.57 g/mol, XLogP of 19.39, 33 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-chloro-3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-chloro-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[3-(difluoromethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;methane;N-methyl-N-[[5-[4-[2-[4-(trifluoromethoxy)phenoxy]ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 159108398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).