N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

C72H97ClF12N14O5 — CID 158761996

About N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (PubChem CID 158761996) has the molecular formula C72H97ClF12N14O5 and a molecular weight of 1502.09 g/mol. Its IUPAC name is N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
• PubChem CID: 158761996
• Molecular Formula: C72H97ClF12N14O5
• Molecular Weight: 1502.09 g/mol
• Exact Mass: 1500.73
• IUPAC Name: N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
• SMILES: CC(C)Oc1cc(C(C)(F)F)cc(-c2[nH]ncc2CN(C)CCN)c1F.CCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(C(F)(F)F)c1F.COCCOc1ccc(C(C)(F)F)cc1-c1cn[nH]c1CN(C)CCN
• InChI: InChI=1S/C18H23ClF3N3O.C18H23F4N3O.C18H25F3N4O.C18H26F2N4O2/c1-5-6-25(4)10-16-13(9-23-24-16)12-7-14(18(20,21)22)17(8-15(12)19)26-11(2)3;1-5-8-25(4)10-12-9-23-24-17(12)13-6-7-14(26-11(2)3)15(16(13)19)18(20,21)22;1-11(2)26-15-8-13(18(3,20)21)7-14(16(15)19)17-12(9-23-24-17)10-25(4)6-5-22;1-18(19,20)13-4-5-17(26-9-8-25-3)14(10-13)15-11-22-23-16(15)12-24(2)7-6-21/h7-9,11H,5-6,10H2,1-4H3,(H,23,24);6-7,9,11H,5,8,10H2,1-4H3,(H,23,24);7-9,11H,5-6,10,22H2,1-4H3,(H,23,24);4-5,10-11H,6-9,12,21H2,1-3H3,(H,22,23)
• InChIKey: IOUCUTFKODKRIR-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 225.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1502.09
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The IUPAC name of N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (CID 158761996) is N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

What is the SMILES notation for N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The canonical SMILES for N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is CC(C)Oc1cc(C(C)(F)F)cc(-c2[nH]ncc2CN(C)CCN)c1F.CCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(C(F)(F)F)c1F.COCCOc1ccc(C(C)(F)F)cc1-c1cn[nH]c1CN(C)CCN.

What is the InChIKey of N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

The InChIKey is IOUCUTFKODKRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3N3O.C18H23F4N3O.C18H25F3N4O.C18H26F2N4O2/c1-5-6-25(4)10-16-13(9-23-24-16)12-7-14(18(20,21)22)17(8-15(12)19)26-11(2)3;1-5-8-25(4)10-12-9-23-24-17(12)13-6-7-14(26-11(2)3)15(16(13)19)18(20,21)22;1-11(2)26-15-8-13(18(3,20)21)7-14(16(15)19)17-12(9-23-24-17)10-25(4)6-5-22;1-18(19,20)13-4-5-17(26-9-8-25-3)14(10-13)15-11-22-23-16(15)12-24(2)7-6-21/h7-9,11H,5-6,10H2,1-4H3,(H,23,24);6-7,9,11H,5,8,10H2,1-4H3,(H,23,24);7-9,11H,5-6,10,22H2,1-4H3,(H,23,24);4-5,10-11H,6-9,12,21H2,1-3H3,(H,22,23).

What are the key properties of N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?

N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 1502.09 g/mol, XLogP of 16.35, 32 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N'-[[5-[5-(1,1-difluoroethyl)-2-fluoro-3-propan-2-yloxyphenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine;N-[[5-[2-fluoro-4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 158761996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).