1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one

C73H68F16N20O9S — CID 158949130

IUPAC1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
SMILESCc1nc(C(F)(F)F)cn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1nc(C(F)(F)F)cn1C(CCOS(C)(=O)=O)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O.Nc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H19F4N5O4S.C18H17F4N5O2.C18H15F4N5O.C9H9F3N2O2.C9H8FN3/c1-12-25-17(19(21,22)23)11-27(12)16(7-8-32-33(2,30)31)18(29)26-14-9-24-28(10-14)15-5-3-13(20)4-6-15;1-11-24-16(18(20,21)22)10-26(11)15(6-7-28)17(29)25-13-8-23-27(9-13)14-4-2-12(19)3-5-14;1-11-24-16(18(20,21)22)10-26(11)15-6-7-25(17(15)28)14-8-23-27(9-14)13-4-2-12(19)3-5-13;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h3-6,9-11,16H,7-8H2,1-2H3,(H,26,29);2-5,8-10,15,28H,6-7H2,1H3,(H,25,29);2-5,8-10,15H,6-7H2,1H3;4,6H,2-3H2,1H3;1-6H,11H2
InChIKeyJLEWSBDXYNXWPX-UHFFFAOYSA-N
MW1705.51 g/mol
LogP12.98
Rot. Bonds19

About 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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 158949130) has the molecular formula C73H68F16N20O9S and a molecular weight of 1705.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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 CID158949130
Molecular FormulaC73H68F16N20O9S
Molecular Weight1705.51 g/mol
Exact Mass1704.49
IUPAC Name1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one
SMILESCc1nc(C(F)(F)F)cn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1nc(C(F)(F)F)cn1C(CCOS(C)(=O)=O)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O.Nc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H19F4N5O4S.C18H17F4N5O2.C18H15F4N5O.C9H9F3N2O2.C9H8FN3/c1-12-25-17(19(21,22)23)11-27(12)16(7-8-32-33(2,30)31)18(29)26-14-9-24-28(10-14)15-5-3-13(20)4-6-15;1-11-24-16(18(20,21)22)10-26(11)15(6-7-28)17(29)25-13-8-23-27(9-13)14-4-2-12(19)3-5-14;1-11-24-16(18(20,21)22)10-26(11)15-6-7-25(17(15)28)14-8-23-27(9-14)13-4-2-12(19)3-5-13;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h3-6,9-11,16H,7-8H2,1-2H3,(H,26,29);2-5,8-10,15,28H,6-7H2,1H3,(H,25,29);2-5,8-10,15H,6-7H2,1H3;4,6H,2-3H2,1H3;1-6H,11H2
InChIKeyJLEWSBDXYNXWPX-UHFFFAOYSA-N
XLogP12.98
TPSA336.99 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001705.51
LogP ≤ 512.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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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Related Compounds

[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;1-(4-fluorophenyl)-5-methylpyrazol-4-amine
CID 157104480
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
[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium-1-yl]pyrrolidin-2-one;chloride
CID 158488316
1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-(4-fluorophenyl)-5-methylpyrazole;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrrolidin-2-one;3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]oxolan-2-one
CID 159803243
5-chloro-1-(4-fluorophenyl)-4-nitropyrazole;1-(4-fluorophenyl)-5-methyl-4-nitropyrazole;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;[4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)-5-methylpyrazol-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 161184430
[3-bromo-4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-bromo-N-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-4-hydroxybutanamide;3-bromo-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]pyrrolidin-2-one;3-bromooxolan-2-one;1-(4-fluorophenyl)-5-methylpyrazol-4-amine;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;2-methyl-5-(trifluoromethyl)-1H-imidazole
CID 162028527
(2S)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;(2S)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid
CID 162075404

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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 158949130) is 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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 Cc1nc(C(F)(F)F)cn1C(CCO)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1nc(C(F)(F)F)cn1C(CCOS(C)(=O)=O)C(=O)Nc1cnn(-c2ccc(F)cc2)c1.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O.Nc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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 JLEWSBDXYNXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O4S.C18H17F4N5O2.C18H15F4N5O.C9H9F3N2O2.C9H8FN3/c1-12-25-17(19(21,22)23)11-27(12)16(7-8-32-33(2,30)31)18(29)26-14-9-24-28(10-14)15-5-3-13(20)4-6-15;1-11-24-16(18(20,21)22)10-26(11)15(6-7-28)17(29)25-13-8-23-27(9-13)14-4-2-12(19)3-5-14;1-11-24-16(18(20,21)22)10-26(11)15-6-7-25(17(15)28)14-8-23-27(9-14)13-4-2-12(19)3-5-13;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15;10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h3-6,9-11,16H,7-8H2,1-2H3,(H,26,29);2-5,8-10,15,28H,6-7H2,1H3,(H,25,29);2-5,8-10,15H,6-7H2,1H3;4,6H,2-3H2,1H3;1-6H,11H2.
What are the key properties of 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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 1705.51 g/mol, XLogP of 12.98, 19 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrazol-4-amine;[4-[[1-(4-fluorophenyl)pyrazol-4-yl]amino]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-4-oxobutyl] methanesulfonate;N-[1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxy-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butanamide;1-[1-(4-fluorophenyl)pyrazol-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 158949130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).