sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride

C130H156Cl5F19N29NaO15S — CID 157276754

IUPACsodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride
SMILESCC(=O)O.CC(C)N(C)C.CCC.CCC(=O)/C=C/N(C)C.CCC(C)=O.CCc1c(N)cnn1-c1ccc(F)cc1.CCc1c(N2CCC(n3nc(C(F)(F)F)c(Cl)c3C)C2=O)cnn1-c1ccc(F)cc1.CCc1c(NC(=O)C(CCO)n2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.CCc1c(NC(=O)C(CCOS(C)(=O)=O)n2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.CCc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.CCc1ccnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1C1CCOC1=O.Cl.NNc1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C21H22ClF4N5O4S.C20H20ClF4N5O2.C20H18ClF4N5O.C11H10FN3O2.C11H12FN3.C11H11FN2.C9H8ClF3N2O2.C7H13NO.C6H7FN2.C5H13N.C4H8O.C3H8.C2H4O2.ClH.Na.H/c1-4-16-15(11-27-31(16)14-7-5-13(23)6-8-14)28-20(32)17(9-10-35-36(3,33)34)30-12(2)18(22)19(29-30)21(24,25)26;1-3-15-14(10-26-30(15)13-6-4-12(22)5-7-13)27-19(32)16(8-9-31)29-11(2)17(21)18(28-29)20(23,24)25;1-3-14-16(10-26-30(14)13-6-4-12(22)5-7-13)28-9-8-15(19(28)31)29-11(2)17(21)18(27-29)20(23,24)25;1-2-10-11(15(16)17)7-13-14(10)9-5-3-8(12)4-6-9;1-2-11-10(13)7-14-15(11)9-5-3-8(12)4-6-9;1-2-10-7-8-13-14(10)11-5-3-9(12)4-6-11;1-4-6(10)7(9(11,12)13)14-15(4)5-2-3-17-8(5)16;1-4-7(9)5-6-8(2)3;7-5-1-3-6(9-8)4-2-5;1-5(2)6(3)4;1-3-4(2)5;1-3-2;1-2(3)4;;;/h5-8,11,17H,4,9-10H2,1-3H3,(H,28,32);4-7,10,16,31H,3,8-9H2,1-2H3,(H,27,32);4-7,10,15H,3,8-9H2,1-2H3;3-7H,2H2,1H3;3-7H,2,13H2,1H3;3-8H,2H2,1H3;5H,2-3H2,1H3;5-6H,4H2,1-3H3;1-4,9H,8H2;5H,1-4H3;3H2,1-2H3;3H2,1-2H3;1H3,(H,3,4);1H;;/q;;;;;;;;;;;;;;+1;-1/b;;;;;;;6-5+;;;;;;;;
InChIKeyFEELAAHVXCJQMX-OQXKJDPLSA-N
MW2958.15 g/mol
LogP26.04
Rot. Bonds34

About sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride

sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride (PubChem CID 157276754) has the molecular formula C130H156Cl5F19N29NaO15S and a molecular weight of 2958.15 g/mol. Its IUPAC name is sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride.

Molecular Properties

Compound Namesodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride
PubChem CID157276754
Molecular FormulaC130H156Cl5F19N29NaO15S
Molecular Weight2958.15 g/mol
Exact Mass2954.01
IUPAC Namesodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride
SMILESCC(=O)O.CC(C)N(C)C.CCC.CCC(=O)/C=C/N(C)C.CCC(C)=O.CCc1c(N)cnn1-c1ccc(F)cc1.CCc1c(N2CCC(n3nc(C(F)(F)F)c(Cl)c3C)C2=O)cnn1-c1ccc(F)cc1.CCc1c(NC(=O)C(CCO)n2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.CCc1c(NC(=O)C(CCOS(C)(=O)=O)n2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.CCc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.CCc1ccnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1C1CCOC1=O.Cl.NNc1ccc(F)cc1.[H-].[Na+]
InChIInChI=1S/C21H22ClF4N5O4S.C20H20ClF4N5O2.C20H18ClF4N5O.C11H10FN3O2.C11H12FN3.C11H11FN2.C9H8ClF3N2O2.C7H13NO.C6H7FN2.C5H13N.C4H8O.C3H8.C2H4O2.ClH.Na.H/c1-4-16-15(11-27-31(16)14-7-5-13(23)6-8-14)28-20(32)17(9-10-35-36(3,33)34)30-12(2)18(22)19(29-30)21(24,25)26;1-3-15-14(10-26-30(15)13-6-4-12(22)5-7-13)27-19(32)16(8-9-31)29-11(2)17(21)18(28-29)20(23,24)25;1-3-14-16(10-26-30(14)13-6-4-12(22)5-7-13)28-9-8-15(19(28)31)29-11(2)17(21)18(27-29)20(23,24)25;1-2-10-11(15(16)17)7-13-14(10)9-5-3-8(12)4-6-9;1-2-11-10(13)7-14-15(11)9-5-3-8(12)4-6-9;1-2-10-7-8-13-14(10)11-5-3-9(12)4-6-11;1-4-6(10)7(9(11,12)13)14-15(4)5-2-3-17-8(5)16;1-4-7(9)5-6-8(2)3;7-5-1-3-6(9-8)4-2-5;1-5(2)6(3)4;1-3-4(2)5;1-3-2;1-2(3)4;;;/h5-8,11,17H,4,9-10H2,1-3H3,(H,28,32);4-7,10,16,31H,3,8-9H2,1-2H3,(H,27,32);4-7,10,15H,3,8-9H2,1-2H3;3-7H,2H2,1H3;3-7H,2,13H2,1H3;3-8H,2H2,1H3;5H,2-3H2,1H3;5-6H,4H2,1-3H3;1-4,9H,8H2;5H,1-4H3;3H2,1-2H3;3H2,1-2H3;1H3,(H,3,4);1H;;/q;;;;;;;;;;;;;;+1;-1/b;;;;;;;6-5+;;;;;;;;
InChIKeyFEELAAHVXCJQMX-OQXKJDPLSA-N
XLogP26.04
TPSA531.74 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002958.15
LogP ≤ 526.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride?
The IUPAC name of sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride (CID 157276754) is sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride.
What is the SMILES notation for sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride?
The canonical SMILES for sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride is CC(=O)O.CC(C)N(C)C.CCC.CCC(=O)/C=C/N(C)C.CCC(C)=O.CCc1c(N)cnn1-c1ccc(F)cc1.CCc1c(N2CCC(n3nc(C(F)(F)F)c(Cl)c3C)C2=O)cnn1-c1ccc(F)cc1.CCc1c(NC(=O)C(CCO)n2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.CCc1c(NC(=O)C(CCOS(C)(=O)=O)n2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.CCc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1.CCc1ccnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1C1CCOC1=O.Cl.NNc1ccc(F)cc1.[H-].[Na+].
What is the InChIKey of sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride?
The InChIKey is FEELAAHVXCJQMX-OQXKJDPLSA-N. The full InChI is InChI=1S/C21H22ClF4N5O4S.C20H20ClF4N5O2.C20H18ClF4N5O.C11H10FN3O2.C11H12FN3.C11H11FN2.C9H8ClF3N2O2.C7H13NO.C6H7FN2.C5H13N.C4H8O.C3H8.C2H4O2.ClH.Na.H/c1-4-16-15(11-27-31(16)14-7-5-13(23)6-8-14)28-20(32)17(9-10-35-36(3,33)34)30-12(2)18(22)19(29-30)21(24,25)26;1-3-15-14(10-26-30(15)13-6-4-12(22)5-7-13)27-19(32)16(8-9-31)29-11(2)17(21)18(28-29)20(23,24)25;1-3-14-16(10-26-30(14)13-6-4-12(22)5-7-13)28-9-8-15(19(28)31)29-11(2)17(21)18(27-29)20(23,24)25;1-2-10-11(15(16)17)7-13-14(10)9-5-3-8(12)4-6-9;1-2-11-10(13)7-14-15(11)9-5-3-8(12)4-6-9;1-2-10-7-8-13-14(10)11-5-3-9(12)4-6-11;1-4-6(10)7(9(11,12)13)14-15(4)5-2-3-17-8(5)16;1-4-7(9)5-6-8(2)3;7-5-1-3-6(9-8)4-2-5;1-5(2)6(3)4;1-3-4(2)5;1-3-2;1-2(3)4;;;/h5-8,11,17H,4,9-10H2,1-3H3,(H,28,32);4-7,10,16,31H,3,8-9H2,1-2H3,(H,27,32);4-7,10,15H,3,8-9H2,1-2H3;3-7H,2H2,1H3;3-7H,2,13H2,1H3;3-8H,2H2,1H3;5H,2-3H2,1H3;5-6H,4H2,1-3H3;1-4,9H,8H2;5H,1-4H3;3H2,1-2H3;3H2,1-2H3;1H3,(H,3,4);1H;;/q;;;;;;;;;;;;;;+1;-1/b;;;;;;;6-5+;;;;;;;;.
What are the key properties of sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride?
sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride has a molecular weight of 2958.15 g/mol, XLogP of 26.04, 34 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;butan-2-one;[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]amino]-4-oxobutyl] methanesulfonate;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-4-hydroxybutanamide;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]pyrrolidin-2-one;3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]oxolan-2-one;(E)-1-(dimethylamino)pent-1-en-3-one;N,N-dimethylpropan-2-amine;5-ethyl-1-(4-fluorophenyl)-4-nitropyrazole;5-ethyl-1-(4-fluorophenyl)pyrazol-4-amine;5-ethyl-1-(4-fluorophenyl)pyrazole;(4-fluorophenyl)hydrazine;hydride;propane;hydrochloride is sourced from PubChem (CID 157276754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).