3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal

C52H62Br3Cl2F9N10O4 — CID 159678803

IUPAC3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal
SMILESC.C.CC(C)c1c(N2CCC(Br)C2=O)cnn1-c1ccc(Cl)cc1.CCC=O.CCc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1=O.CCc1ncc(C(F)(F)F)[nH]1.O=C(C(Br)Br)C(F)(F)F
InChIInChI=1S/C22H23ClF3N5O.C16H17BrClN3O.C6H7F3N2.C3HBr2F3O.C3H6O.2CH4/c1-4-19-28-18(22(24,25)26)12-30(19)16-9-10-29(21(16)32)17-11-27-31(20(17)13(2)3)15-7-5-14(23)6-8-15;1-10(2)15-14(20-8-7-13(17)16(20)22)9-19-21(15)12-5-3-11(18)4-6-12;1-2-5-10-3-4(11-5)6(7,8)9;4-2(5)1(9)3(6,7)8;1-2-3-4;;/h5-8,11-13,16H,4,9-10H2,1-3H3;3-6,9-10,13H,7-8H2,1-2H3;3H,2H2,1H3,(H,10,11);2H;3H,2H2,1H3;2*1H4
InChIKeyMUYJWDIGJARQHT-UHFFFAOYSA-N
MW1372.73 g/mol
LogP15.65
Rot. Bonds11

About 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal

3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal (PubChem CID 159678803) has the molecular formula C52H62Br3Cl2F9N10O4 and a molecular weight of 1372.73 g/mol. Its IUPAC name is 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal.

Molecular Properties

Compound Name3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal
PubChem CID159678803
Molecular FormulaC52H62Br3Cl2F9N10O4
Molecular Weight1372.73 g/mol
Exact Mass1368.17
IUPAC Name3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal
SMILESC.C.CC(C)c1c(N2CCC(Br)C2=O)cnn1-c1ccc(Cl)cc1.CCC=O.CCc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1=O.CCc1ncc(C(F)(F)F)[nH]1.O=C(C(Br)Br)C(F)(F)F
InChIInChI=1S/C22H23ClF3N5O.C16H17BrClN3O.C6H7F3N2.C3HBr2F3O.C3H6O.2CH4/c1-4-19-28-18(22(24,25)26)12-30(19)16-9-10-29(21(16)32)17-11-27-31(20(17)13(2)3)15-7-5-14(23)6-8-15;1-10(2)15-14(20-8-7-13(17)16(20)22)9-19-21(15)12-5-3-11(18)4-6-12;1-2-5-10-3-4(11-5)6(7,8)9;4-2(5)1(9)3(6,7)8;1-2-3-4;;/h5-8,11-13,16H,4,9-10H2,1-3H3;3-6,9-10,13H,7-8H2,1-2H3;3H,2H2,1H3,(H,10,11);2H;3H,2H2,1H3;2*1H4
InChIKeyMUYJWDIGJARQHT-UHFFFAOYSA-N
XLogP15.65
TPSA156.90 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.73
LogP ≤ 515.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal with MolForge

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Related Compounds

(3S)-1-[1-(4-chlorophenyl)-3-[2-[3-(4-chlorophenyl)-5-[(3S)-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-oxopyrrolidin-1-yl]triazol-4-yl]propyl]-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 132004646
(3S)-1-[1-(4-chloro-3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;(3S)-1-[1-(4-chloro-3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)pyrrol-1-yl]hexan-2-one
CID 157237578
1-(4-Chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 158917956
3-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one
CID 159308515
1-bromopropan-2-one;3-bromoprop-1-ene;1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;4-ethenyl-2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]hex-5-en-2-one;2-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]pent-4-enoic acid;1-[5-ethenyl-2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-2-one;4-iodo-2-methyl-5-(trifluoromethyl)-1H-imidazole;methanol;2-methyl-5-(trifluoromethyl)-1H-imidazole;2,4,6-tris(ethenyl)-1,3,5,2,4,6-trioxatriborinane
CID 159456683
1-[1-(4-Chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 160052996
3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;propanal
CID 160127879
3-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 160379737
(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3-(2,4-dimethylimidazol-1-yl)pyrrolidin-2-one
CID 160713565
(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 161018909
3-bromo-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;5-(trifluoromethyl)-1H-imidazole
CID 161250931
3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;2-methyl-5-(trifluoromethyl)-1H-imidazole
CID 161745206

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal?
The IUPAC name of 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal (CID 159678803) is 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal.
What is the SMILES notation for 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal?
The canonical SMILES for 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal is C.C.CC(C)c1c(N2CCC(Br)C2=O)cnn1-c1ccc(Cl)cc1.CCC=O.CCc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1=O.CCc1ncc(C(F)(F)F)[nH]1.O=C(C(Br)Br)C(F)(F)F.
What is the InChIKey of 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal?
The InChIKey is MUYJWDIGJARQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N5O.C16H17BrClN3O.C6H7F3N2.C3HBr2F3O.C3H6O.2CH4/c1-4-19-28-18(22(24,25)26)12-30(19)16-9-10-29(21(16)32)17-11-27-31(20(17)13(2)3)15-7-5-14(23)6-8-15;1-10(2)15-14(20-8-7-13(17)16(20)22)9-19-21(15)12-5-3-11(18)4-6-12;1-2-5-10-3-4(11-5)6(7,8)9;4-2(5)1(9)3(6,7)8;1-2-3-4;;/h5-8,11-13,16H,4,9-10H2,1-3H3;3-6,9-10,13H,7-8H2,1-2H3;3H,2H2,1H3,(H,10,11);2H;3H,2H2,1H3;2*1H4.
What are the key properties of 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal?
3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal has a molecular weight of 1372.73 g/mol, XLogP of 15.65, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3,3-dibromo-1,1,1-trifluoropropan-2-one;2-ethyl-5-(trifluoromethyl)-1H-imidazole;methane;propanal is sourced from PubChem (CID 159678803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).