methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

C78H123F3N14O5 — CID 158969106

About methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158969106) has the molecular formula C78H123F3N14O5 and a molecular weight of 1393.93 g/mol. Its IUPAC name is methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

• Compound Name: methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
• PubChem CID: 158969106
• Molecular Formula: C78H123F3N14O5
• Molecular Weight: 1393.93 g/mol
• Exact Mass: 1392.98
• IUPAC Name: methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
• SMILES: C.C.C.C.CCCCN(C)Cc1ccnn1-c1ccc(OC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc2oc(C(C)C)nc2c1
• InChI: InChI=1S/C20H28F3N3O2.C19H26N4O.C18H27N3O.C17H26N4O.4CH4/c1-4-5-9-26(2)14-16-13-24-25-19(16)15-7-8-18(28-11-6-10-27-3)17(12-15)20(21,22)23;1-5-6-9-23(4)12-15-11-20-22-18(15)14-7-8-17-16(10-14)21-19(24-17)13(2)3;1-5-6-13-20(4)14-17-11-12-19-21(17)16-7-9-18(10-8-16)22-15(2)3;1-5-6-9-21(4)12-15-11-19-20-17(15)14-7-8-16(18-10-14)22-13(2)3;;;;/h7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,24,25);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,22);7-12,15H,5-6,13-14H2,1-4H3;7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,19,20);4*1H4
• InChIKey: JNOQXSWOIUCAAA-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 192.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 34
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.93
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	3
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 methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?

The IUPAC name of methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158969106) is methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

What is the SMILES notation for methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?

The canonical SMILES for methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C.C.CCCCN(C)Cc1ccnn1-c1ccc(OC(C)C)cc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc2oc(C(C)C)nc2c1.

What is the InChIKey of methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?

The InChIKey is JNOQXSWOIUCAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2.C19H26N4O.C18H27N3O.C17H26N4O.4CH4/c1-4-5-9-26(2)14-16-13-24-25-19(16)15-7-8-18(28-11-6-10-27-3)17(12-15)20(21,22)23;1-5-6-9-23(4)12-15-11-20-22-18(15)14-7-8-17-16(10-14)21-19(24-17)13(2)3;1-5-6-13-20(4)14-17-11-12-19-21(17)16-7-9-18(10-8-16)22-15(2)3;1-5-6-9-21(4)12-15-11-19-20-17(15)14-7-8-16(18-10-14)22-13(2)3;;;;/h7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,24,25);7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,20,22);7-12,15H,5-6,13-14H2,1-4H3;7-8,10-11,13H,5-6,9,12H2,1-4H3,(H,19,20);4*1H4.

What are the key properties of methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?

methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1393.93 g/mol, XLogP of 19.24, 34 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-[[5-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[2-(4-propan-2-yloxyphenyl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158969106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).