N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C91H139F3N14O5 — CID 161267023

About N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 161267023) has the molecular formula C91H139F3N14O5 and a molecular weight of 1566.20 g/mol. Its IUPAC name is N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• PubChem CID: 161267023
• Molecular Formula: C91H139F3N14O5
• Molecular Weight: 1566.20 g/mol
• Exact Mass: 1565.10
• IUPAC Name: N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• SMILES: C.C.C.CCCCN(C)Cc1ccnn1C1CCC(COC)CC1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OCC2CC2)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccc(C)cc2)cc1.CCc1cccc(OCCN(CC)c2ccc(-c3[nH]ncc3CN(C)CCNC)cc2)c1
• InChI: InChI=1S/C26H37N5O.C24H31N3O2.C21H28F3N3O.C17H31N3O.3CH4/c1-5-21-8-7-9-25(18-21)32-17-16-31(6-2)24-12-10-22(11-13-24)26-23(19-28-29-26)20-30(4)15-14-27-3;1-4-5-14-27(3)18-21-17-25-26-24(21)20-8-12-23(13-9-20)29-16-15-28-22-10-6-19(2)7-11-22;1-4-5-8-27(3)12-17-11-25-26-19(17)16-9-14(2)20(28-13-15-6-7-15)18(10-16)21(22,23)24;1-4-5-12-19(2)13-17-10-11-18-20(17)16-8-6-15(7-9-16)14-21-3;;;/h7-13,18-19,27H,5-6,14-17,20H2,1-4H3,(H,28,29);6-13,17H,4-5,14-16,18H2,1-3H3,(H,25,26);9-11,15H,4-8,12-13H2,1-3H3,(H,25,26);10-11,15-16H,4-9,12-14H2,1-3H3;3*1H4
• InChIKey: VDHYGWPPVPEVFZ-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 178.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 41
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1566.20
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	4
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-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The IUPAC name of N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 161267023) is N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

What is the SMILES notation for N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The canonical SMILES for N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C.CCCCN(C)Cc1ccnn1C1CCC(COC)CC1.CCCCN(C)Cc1cn[nH]c1-c1cc(C)c(OCC2CC2)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccc(C)cc2)cc1.CCc1cccc(OCCN(CC)c2ccc(-c3[nH]ncc3CN(C)CCNC)cc2)c1.

What is the InChIKey of N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The InChIKey is VDHYGWPPVPEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O.C24H31N3O2.C21H28F3N3O.C17H31N3O.3CH4/c1-5-21-8-7-9-25(18-21)32-17-16-31(6-2)24-12-10-22(11-13-24)26-23(19-28-29-26)20-30(4)15-14-27-3;1-4-5-14-27(3)18-21-17-25-26-24(21)20-8-12-23(13-9-20)29-16-15-28-22-10-6-19(2)7-11-22;1-4-5-8-27(3)12-17-11-25-26-19(17)16-9-14(2)20(28-13-15-6-7-15)18(10-16)21(22,23)24;1-4-5-12-19(2)13-17-10-11-18-20(17)16-8-6-15(7-9-16)14-21-3;;;/h7-13,18-19,27H,5-6,14-17,20H2,1-4H3,(H,28,29);6-13,17H,4-5,14-16,18H2,1-3H3,(H,25,26);9-11,15H,4-8,12-13H2,1-3H3,(H,25,26);10-11,15-16H,4-9,12-14H2,1-3H3;3*1H4.

What are the key properties of N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1566.20 g/mol, XLogP of 20.10, 41 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-(cyclopropylmethoxy)-3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-[[5-[4-[ethyl-[2-(3-ethylphenoxy)ethyl]amino]phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;methane;N-[[2-[4-(methoxymethyl)cyclohexyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 161267023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).