1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine

C86H63F28N19O5 — CID 163424946

IUPAC1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine
SMILESCC(C)(OCc1cc(F)cc(-c2cc(N)nn2-c2ccc(F)cc2)c1)C(F)(F)F.CC(C)(Oc1cc(F)cc(-c2cc(N)nn2-c2cnc(C(F)(F)F)nc2)c1)C(F)(F)F.Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cncc(C(F)(F)F)c2)n1.Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cncc(F)c2)n1.Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F5N3O.C18H14F7N5O.C17H13F4N3O.C16H9F7N4O.C15H9F5N4O/c1-19(2,20(23,24)25)29-11-12-7-13(9-15(22)8-12)17-10-18(26)27-28(17)16-5-3-14(21)4-6-16;1-16(2,18(23,24)25)31-12-4-9(3-10(19)5-12)13-6-14(26)29-30(13)11-7-27-15(28-8-11)17(20,21)22;18-12-4-6-13(7-5-12)24-15(9-16(22)23-24)11-2-1-3-14(8-11)25-10-17(19,20)21;17-10-1-8(2-12(4-10)28-16(21,22)23)13-5-14(24)26-27(13)11-3-9(6-25-7-11)15(18,19)20;16-9-1-8(2-12(4-9)25-15(18,19)20)13-5-14(21)23-24(13)11-3-10(17)6-22-7-11/h3-10H,11H2,1-2H3,(H2,26,27);3-8H,1-2H3,(H2,26,29);1-9H,10H2,(H2,22,23);1-7H,(H2,24,26);1-7H,(H2,21,23)
InChIKeyALQYMFUKBPJLRP-UHFFFAOYSA-N
MW1974.52 g/mol
LogP22.51
Rot. Bonds19

About 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine

1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine (PubChem CID 163424946) has the molecular formula C86H63F28N19O5 and a molecular weight of 1974.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine
PubChem CID163424946
Molecular FormulaC86H63F28N19O5
Molecular Weight1974.52 g/mol
Exact Mass1973.48
IUPAC Name1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine
SMILESCC(C)(OCc1cc(F)cc(-c2cc(N)nn2-c2ccc(F)cc2)c1)C(F)(F)F.CC(C)(Oc1cc(F)cc(-c2cc(N)nn2-c2cnc(C(F)(F)F)nc2)c1)C(F)(F)F.Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cncc(C(F)(F)F)c2)n1.Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cncc(F)c2)n1.Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F5N3O.C18H14F7N5O.C17H13F4N3O.C16H9F7N4O.C15H9F5N4O/c1-19(2,20(23,24)25)29-11-12-7-13(9-15(22)8-12)17-10-18(26)27-28(17)16-5-3-14(21)4-6-16;1-16(2,18(23,24)25)31-12-4-9(3-10(19)5-12)13-6-14(26)29-30(13)11-7-27-15(28-8-11)17(20,21)22;18-12-4-6-13(7-5-12)24-15(9-16(22)23-24)11-2-1-3-14(8-11)25-10-17(19,20)21;17-10-1-8(2-12(4-10)28-16(21,22)23)13-5-14(24)26-27(13)11-3-9(6-25-7-11)15(18,19)20;16-9-1-8(2-12(4-9)25-15(18,19)20)13-5-14(21)23-24(13)11-3-10(17)6-22-7-11/h3-10H,11H2,1-2H3,(H2,26,27);3-8H,1-2H3,(H2,26,29);1-9H,10H2,(H2,22,23);1-7H,(H2,24,26);1-7H,(H2,21,23)
InChIKeyALQYMFUKBPJLRP-UHFFFAOYSA-N
XLogP22.51
TPSA316.91 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001974.52
LogP ≤ 522.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine (CID 163424946) is 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine is CC(C)(OCc1cc(F)cc(-c2cc(N)nn2-c2ccc(F)cc2)c1)C(F)(F)F.CC(C)(Oc1cc(F)cc(-c2cc(N)nn2-c2cnc(C(F)(F)F)nc2)c1)C(F)(F)F.Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cncc(C(F)(F)F)c2)n1.Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cncc(F)c2)n1.Nc1cc(-c2cccc(OCC(F)(F)F)c2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine?
The InChIKey is ALQYMFUKBPJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N3O.C18H14F7N5O.C17H13F4N3O.C16H9F7N4O.C15H9F5N4O/c1-19(2,20(23,24)25)29-11-12-7-13(9-15(22)8-12)17-10-18(26)27-28(17)16-5-3-14(21)4-6-16;1-16(2,18(23,24)25)31-12-4-9(3-10(19)5-12)13-6-14(26)29-30(13)11-7-27-15(28-8-11)17(20,21)22;18-12-4-6-13(7-5-12)24-15(9-16(22)23-24)11-2-1-3-14(8-11)25-10-17(19,20)21;17-10-1-8(2-12(4-10)28-16(21,22)23)13-5-14(24)26-27(13)11-3-9(6-25-7-11)15(18,19)20;16-9-1-8(2-12(4-9)25-15(18,19)20)13-5-14(21)23-24(13)11-3-10(17)6-22-7-11/h3-10H,11H2,1-2H3,(H2,26,27);3-8H,1-2H3,(H2,26,29);1-9H,10H2,(H2,22,23);1-7H,(H2,24,26);1-7H,(H2,21,23).
What are the key properties of 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine?
1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine has a molecular weight of 1974.52 g/mol, XLogP of 22.51, 19 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-fluoro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]pyrazol-3-amine;1-(4-fluorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-amine;1-(5-fluoro-3-pyridinyl)-5-[3-fluoro-5-(trifluoromethoxy)phenyl]pyrazol-3-amine;5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-amine;5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-amine is sourced from PubChem (CID 163424946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).