N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C87H138F3N15O5 — CID 160612198

About N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 160612198) has the molecular formula C87H138F3N15O5 and a molecular weight of 1531.15 g/mol. Its IUPAC name is N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• PubChem CID: 160612198
• Molecular Formula: C87H138F3N15O5
• Molecular Weight: 1531.15 g/mol
• Exact Mass: 1530.10
• IUPAC Name: N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
• SMILES: C.C.C.C.CCCCN(C)Cc1ccnn1C1CCC2(CCOCC2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CC3CCCC3C2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccccc2)cc1.CCCOCCOc1cc(-c2[nH]ncc2CN(C)CCNC)cc(C(F)(F)F)c1
• InChI: InChI=1S/C23H29N3O2.C21H31N5.C20H29F3N4O2.C19H33N3O.4CH4/c1-3-4-14-26(2)18-20-17-24-25-23(20)19-10-12-22(13-11-19)28-16-15-27-21-8-6-5-7-9-21;1-3-4-10-25(2)13-19-12-23-24-21(19)16-8-9-20(22-11-16)26-14-17-6-5-7-18(17)15-26;1-4-7-28-8-9-29-18-11-15(10-17(12-18)20(21,22)23)19-16(13-25-26-19)14-27(3)6-5-24-2;1-3-4-13-21(2)16-18-7-12-20-22(18)17-5-8-19(9-6-17)10-14-23-15-11-19;;;;/h5-13,17H,3-4,14-16,18H2,1-2H3,(H,24,25);8-9,11-12,17-18H,3-7,10,13-15H2,1-2H3,(H,23,24);10-13,24H,4-9,14H2,1-3H3,(H,25,26);7,12,17H,3-6,8-11,13-16H2,1-2H3;4*1H4
• InChIKey: RFQBOZHXXUMUCD-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 191.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 36
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1531.15
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The IUPAC name of N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 160612198) is N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

What is the SMILES notation for N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The canonical SMILES for N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C.C.CCCCN(C)Cc1ccnn1C1CCC2(CCOCC2)CC1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CC3CCCC3C2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOc2ccccc2)cc1.CCCOCCOc1cc(-c2[nH]ncc2CN(C)CCNC)cc(C(F)(F)F)c1.

What is the InChIKey of N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

The InChIKey is RFQBOZHXXUMUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.C21H31N5.C20H29F3N4O2.C19H33N3O.4CH4/c1-3-4-14-26(2)18-20-17-24-25-23(20)19-10-12-22(13-11-19)28-16-15-27-21-8-6-5-7-9-21;1-3-4-10-25(2)13-19-12-23-24-21(19)16-8-9-20(22-11-16)26-14-17-6-5-7-18(17)15-26;1-4-7-28-8-9-29-18-11-15(10-17(12-18)20(21,22)23)19-16(13-25-26-19)14-27(3)6-5-24-2;1-3-4-13-21(2)16-18-7-12-20-22(18)17-5-8-19(9-6-17)10-14-23-15-11-19;;;;/h5-13,17H,3-4,14-16,18H2,1-2H3,(H,24,25);8-9,11-12,17-18H,3-7,10,13-15H2,1-2H3,(H,23,24);10-13,24H,4-9,14H2,1-3H3,(H,25,26);7,12,17H,3-6,8-11,13-16H2,1-2H3;4*1H4.

What are the key properties of N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?

N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1531.15 g/mol, XLogP of 18.83, 36 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N,N'-dimethyl-N'-[[5-[3-(2-propoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;methane;N-methyl-N-[[2-(3-oxaspiro[5.5]undecan-9-yl)pyrazol-3-yl]methyl]butan-1-amine;N-methyl-N-[[5-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 160612198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).