3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane

C133H180BrCl2F8N9O6 — CID 161065471

IUPAC3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C(F)(F)F.CC(C)C1=CCc2ncc(Br)cc21.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)Cc1ccn[nH]1.CC(C)c1cc2c3c(c1O)CCCN3CCC2.CC(C)c1ccc(C(F)(F)F)c(F)c1F.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.COc1cc(C(C)C)ccc1OCC(=O)Cc1ccc(Cl)c(Cl)c1.Cc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C19H20Cl2O3.C15H21NO.C13H19NO.C12H16.C12H24.C11H12BrN.C11H13N.C10H9F5.C10H11NO.C9H16N2.C7H12N2.C4H7F3/c1-12(2)14-5-7-18(19(10-14)23-3)24-11-15(22)8-13-4-6-16(20)17(21)9-13;1-10(2)13-9-11-5-3-7-16-8-4-6-12(14(11)16)15(13)17;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-7(2)9-3-4-11-10(9)5-8(12)6-13-11;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-5(2)6-3-4-7(10(13,14)15)9(12)8(6)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)6-11-9(4)5-8(3)10-11;1-6(2)5-7-3-4-8-9-7;1-3(2)4(5,6)7/h4-7,9-10,12H,8,11H2,1-3H3;9-10,17H,3-8H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3,5-7H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5H,1-2H3;3-7H,1-2H3;5,7H,6H2,1-4H3;3-4,6H,5H2,1-2H3,(H,8,9);3H,1-2H3/b;;;;9-8-;;;;;;;
InChIKeyUDYUHIPYWRVPSG-RNTKEUABSA-N
MW2303.75 g/mol
LogP39.21
Rot. Bonds28

About 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane

3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane (PubChem CID 161065471) has the molecular formula C133H180BrCl2F8N9O6 and a molecular weight of 2303.75 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane
PubChem CID161065471
Molecular FormulaC133H180BrCl2F8N9O6
Molecular Weight2303.75 g/mol
Exact Mass2300.25
IUPAC Name3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane
SMILESCC(C)C(F)(F)F.CC(C)C1=CCc2ncc(Br)cc21.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)Cc1ccn[nH]1.CC(C)c1cc2c3c(c1O)CCCN3CCC2.CC(C)c1ccc(C(F)(F)F)c(F)c1F.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.COc1cc(C(C)C)ccc1OCC(=O)Cc1ccc(Cl)c(Cl)c1.Cc1cc(C)n(CC(C)C)n1
InChIInChI=1S/C19H20Cl2O3.C15H21NO.C13H19NO.C12H16.C12H24.C11H12BrN.C11H13N.C10H9F5.C10H11NO.C9H16N2.C7H12N2.C4H7F3/c1-12(2)14-5-7-18(19(10-14)23-3)24-11-15(22)8-13-4-6-16(20)17(21)9-13;1-10(2)13-9-11-5-3-7-16-8-4-6-12(14(11)16)15(13)17;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-7(2)9-3-4-11-10(9)5-8(12)6-13-11;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-5(2)6-3-4-7(10(13,14)15)9(12)8(6)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)6-11-9(4)5-8(3)10-11;1-6(2)5-7-3-4-8-9-7;1-3(2)4(5,6)7/h4-7,9-10,12H,8,11H2,1-3H3;9-10,17H,3-8H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3,5-7H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5H,1-2H3;3-7H,1-2H3;5,7H,6H2,1-4H3;3-4,6H,5H2,1-2H3,(H,8,9);3H,1-2H3/b;;;;9-8-;;;;;;;
InChIKeyUDYUHIPYWRVPSG-RNTKEUABSA-N
XLogP39.21
TPSA179.43 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.75
LogP ≤ 539.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane (CID 161065471) is 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane is CC(C)C(F)(F)F.CC(C)C1=CCc2ncc(Br)cc21.CC(C)C1=CCc2ncccc21.CC(C)C1CC1c1ccccc1.CC(C)Cc1ccn[nH]1.CC(C)c1cc2c3c(c1O)CCCN3CCC2.CC(C)c1ccc(C(F)(F)F)c(F)c1F.CC(C)c1ccc(OC2CCCC2)nc1.CC(C)c1nc2ccccc2o1.CCCCC/C=C\CCC(C)C.COc1cc(C(C)C)ccc1OCC(=O)Cc1ccc(Cl)c(Cl)c1.Cc1cc(C)n(CC(C)C)n1.
What is the InChIKey of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane?
The InChIKey is UDYUHIPYWRVPSG-RNTKEUABSA-N. The full InChI is InChI=1S/C19H20Cl2O3.C15H21NO.C13H19NO.C12H16.C12H24.C11H12BrN.C11H13N.C10H9F5.C10H11NO.C9H16N2.C7H12N2.C4H7F3/c1-12(2)14-5-7-18(19(10-14)23-3)24-11-15(22)8-13-4-6-16(20)17(21)9-13;1-10(2)13-9-11-5-3-7-16-8-4-6-12(14(11)16)15(13)17;1-10(2)11-7-8-13(14-9-11)15-12-5-3-4-6-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-5-6-7-8-9-10-11-12(2)3;1-7(2)9-3-4-11-10(9)5-8(12)6-13-11;1-8(2)9-5-6-11-10(9)4-3-7-12-11;1-5(2)6-3-4-7(10(13,14)15)9(12)8(6)11;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)6-11-9(4)5-8(3)10-11;1-6(2)5-7-3-4-8-9-7;1-3(2)4(5,6)7/h4-7,9-10,12H,8,11H2,1-3H3;9-10,17H,3-8H2,1-2H3;7-10,12H,3-6H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;8-9,12H,4-7,10-11H2,1-3H3;3,5-7H,4H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-5H,1-2H3;3-7H,1-2H3;5,7H,6H2,1-4H3;3-4,6H,5H2,1-2H3,(H,8,9);3H,1-2H3/b;;;;9-8-;;;;;;;.
What are the key properties of 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane?
3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane has a molecular weight of 2303.75 g/mol, XLogP of 39.21, 28 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 161065471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).