1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one

C85H94F16N18O4 — CID 158374579

IUPAC1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
SMILESCC(C)c1c(N)cnn1-c1ccc(F)cc1.CCCC(Cc1cnn(-c2ccc(F)cc2)c1C(C)C)n1cc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)cn1C(CCO)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2C(C)C)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O
InChIInChI=1S/C22H26F4N4.C21H21F4N5O.C21H24F4N4O.C12H14FN3.C9H9F3N2O2/c1-5-6-19(29-13-20(22(24,25)26)28-15(29)4)11-16-12-27-30(21(16)14(2)3)18-9-7-17(23)8-10-18;1-12(2)19-17(10-26-30(19)15-6-4-14(22)5-7-15)28-9-8-16(20(28)31)29-11-18(21(23,24)25)27-13(29)3;1-13(2)20-15(11-26-29(20)17-6-4-16(22)5-7-17)10-18(8-9-30)28-12-19(21(23,24)25)27-14(28)3;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15/h7-10,12-14,19H,5-6,11H2,1-4H3;4-7,10-12,16H,8-9H2,1-3H3;4-7,11-13,18,30H,8-10H2,1-3H3;3-8H,14H2,1-2H3;4,6H,2-3H2,1H3
InChIKeyGVANNYIBPMSWNI-UHFFFAOYSA-N
MW1735.78 g/mol
LogP20.12
Rot. Bonds21

About 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one

1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one (PubChem CID 158374579) has the molecular formula C85H94F16N18O4 and a molecular weight of 1735.78 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
PubChem CID158374579
Molecular FormulaC85H94F16N18O4
Molecular Weight1735.78 g/mol
Exact Mass1734.74
IUPAC Name1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
SMILESCC(C)c1c(N)cnn1-c1ccc(F)cc1.CCCC(Cc1cnn(-c2ccc(F)cc2)c1C(C)C)n1cc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)cn1C(CCO)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2C(C)C)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O
InChIInChI=1S/C22H26F4N4.C21H21F4N5O.C21H24F4N4O.C12H14FN3.C9H9F3N2O2/c1-5-6-19(29-13-20(22(24,25)26)28-15(29)4)11-16-12-27-30(21(16)14(2)3)18-9-7-17(23)8-10-18;1-12(2)19-17(10-26-30(19)15-6-4-14(22)5-7-15)28-9-8-16(20(28)31)29-11-18(21(23,24)25)27-13(29)3;1-13(2)20-15(11-26-29(20)17-6-4-16(22)5-7-17)10-18(8-9-30)28-12-19(21(23,24)25)27-14(28)3;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15/h7-10,12-14,19H,5-6,11H2,1-4H3;4-7,10-12,16H,8-9H2,1-3H3;4-7,11-13,18,30H,8-10H2,1-3H3;3-8H,14H2,1-2H3;4,6H,2-3H2,1H3
InChIKeyGVANNYIBPMSWNI-UHFFFAOYSA-N
XLogP20.12
TPSA235.42 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.78
LogP ≤ 520.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one (CID 158374579) is 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one is CC(C)c1c(N)cnn1-c1ccc(F)cc1.CCCC(Cc1cnn(-c2ccc(F)cc2)c1C(C)C)n1cc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)cn1C(CCO)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2C(C)C)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one?
The InChIKey is GVANNYIBPMSWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4.C21H21F4N5O.C21H24F4N4O.C12H14FN3.C9H9F3N2O2/c1-5-6-19(29-13-20(22(24,25)26)28-15(29)4)11-16-12-27-30(21(16)14(2)3)18-9-7-17(23)8-10-18;1-12(2)19-17(10-26-30(19)15-6-4-14(22)5-7-15)28-9-8-16(20(28)31)29-11-18(21(23,24)25)27-13(29)3;1-13(2)20-15(11-26-29(20)17-6-4-16(22)5-7-17)10-18(8-9-30)28-12-19(21(23,24)25)27-14(28)3;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15/h7-10,12-14,19H,5-6,11H2,1-4H3;4-7,10-12,16H,8-9H2,1-3H3;4-7,11-13,18,30H,8-10H2,1-3H3;3-8H,14H2,1-2H3;4,6H,2-3H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one?
1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one has a molecular weight of 1735.78 g/mol, XLogP of 20.12, 21 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one is sourced from PubChem (CID 158374579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).