2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride

C74H61Cl4F19N16O6 — CID 161234336

IUPAC2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride
SMILESC.C.CC(=O)c1ccnc(Cl)c1.CCOC(=O)C(F)(F)F.Cl.Fc1ccc(-n2nc(C(F)(F)F)cc2-c2ccnc(Cl)c2)cc1.NC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1.NNc1ccc(F)cc1.Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1.O=C(CC(=O)C(F)(F)F)c1ccnc(Cl)c1
InChIInChI=1S/C16H11F4N5O.C15H8ClF4N3.C15H10F4N4.C9H5ClF3NO2.C7H6ClNO.C6H7FN2.C4H5F3O2.2CH4.ClH/c17-10-1-3-11(4-2-10)25-12(8-13(24-25)16(18,19)20)9-5-6-22-14(7-9)23-15(21)26;16-14-7-9(5-6-21-14)12-8-13(15(18,19)20)22-23(12)11-3-1-10(17)2-4-11;16-10-1-3-11(4-2-10)23-12(8-13(22-23)15(17,18)19)9-5-6-21-14(20)7-9;10-8-3-5(1-2-14-8)6(15)4-7(16)9(11,12)13;1-5(10)6-2-3-9-7(8)4-6;7-5-1-3-6(9-8)4-2-5;1-2-9-3(8)4(5,6)7;;;/h1-8H,(H3,21,22,23,26);1-8H;1-8H,(H2,20,21);1-3H,4H2;2-4H,1H3;1-4,9H,8H2;2H2,1H3;2*1H4;1H
InChIKeyNIMMMCMYVTXNNR-UHFFFAOYSA-N
MW1773.18 g/mol
LogP20.30
Rot. Bonds13

About 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride

2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride (PubChem CID 161234336) has the molecular formula C74H61Cl4F19N16O6 and a molecular weight of 1773.18 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride
PubChem CID161234336
Molecular FormulaC74H61Cl4F19N16O6
Molecular Weight1773.18 g/mol
Exact Mass1770.34
IUPAC Name2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride
SMILESC.C.CC(=O)c1ccnc(Cl)c1.CCOC(=O)C(F)(F)F.Cl.Fc1ccc(-n2nc(C(F)(F)F)cc2-c2ccnc(Cl)c2)cc1.NC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1.NNc1ccc(F)cc1.Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1.O=C(CC(=O)C(F)(F)F)c1ccnc(Cl)c1
InChIInChI=1S/C16H11F4N5O.C15H8ClF4N3.C15H10F4N4.C9H5ClF3NO2.C7H6ClNO.C6H7FN2.C4H5F3O2.2CH4.ClH/c17-10-1-3-11(4-2-10)25-12(8-13(24-25)16(18,19)20)9-5-6-22-14(7-9)23-15(21)26;16-14-7-9(5-6-21-14)12-8-13(15(18,19)20)22-23(12)11-3-1-10(17)2-4-11;16-10-1-3-11(4-2-10)23-12(8-13(22-23)15(17,18)19)9-5-6-21-14(20)7-9;10-8-3-5(1-2-14-8)6(15)4-7(16)9(11,12)13;1-5(10)6-2-3-9-7(8)4-6;7-5-1-3-6(9-8)4-2-5;1-2-9-3(8)4(5,6)7;;;/h1-8H,(H3,21,22,23,26);1-8H;1-8H,(H2,20,21);1-3H,4H2;2-4H,1H3;1-4,9H,8H2;2H2,1H3;2*1H4;1H
InChIKeyNIMMMCMYVTXNNR-UHFFFAOYSA-N
XLogP20.30
TPSA314.61 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.18
LogP ≤ 520.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide;2-chloro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide;2,6-dichloro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
CID 161538294
[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;N-[5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]-2-pyridinyl]-4-fluorobenzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-[6-[(4-fluorobenzoyl)amino]-3-pyridinyl]propanoic acid;4-fluoro-N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide
CID 157390029
acetic acid;7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;ethyl 3-(2-fluorophenyl)-3-oxopropanoate;5-(2-fluorophenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;4H-imidazol-2-amine;phosphoryl trichloride;pyridin-4-amine
CID 159196909
2-chloro-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridine;(E)-1-(2-chloro-4-pyridinyl)-3-(dimethylamino)prop-2-en-1-one;1-(2-chloro-4-pyridinyl)ethanone;1,1-dimethoxy-N,N-dimethylmethanamine;4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine;[4-[2-(4-fluorophenyl)pyrazol-3-yl]-2-pyridinyl]urea;methane
CID 160400053
acetic acid;7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;ethyl 3-(2-fluorophenyl)-3-oxopropanoate;5-(2-fluorophenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;phosphoryl trichloride;pyridin-4-amine;1H-1,2,4-triazol-5-amine
CID 162235261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride?
The IUPAC name of 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride (CID 161234336) is 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride.
What is the SMILES notation for 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride?
The canonical SMILES for 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride is C.C.CC(=O)c1ccnc(Cl)c1.CCOC(=O)C(F)(F)F.Cl.Fc1ccc(-n2nc(C(F)(F)F)cc2-c2ccnc(Cl)c2)cc1.NC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1.NNc1ccc(F)cc1.Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccn1.O=C(CC(=O)C(F)(F)F)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride?
The InChIKey is NIMMMCMYVTXNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O.C15H8ClF4N3.C15H10F4N4.C9H5ClF3NO2.C7H6ClNO.C6H7FN2.C4H5F3O2.2CH4.ClH/c17-10-1-3-11(4-2-10)25-12(8-13(24-25)16(18,19)20)9-5-6-22-14(7-9)23-15(21)26;16-14-7-9(5-6-21-14)12-8-13(15(18,19)20)22-23(12)11-3-1-10(17)2-4-11;16-10-1-3-11(4-2-10)23-12(8-13(22-23)15(17,18)19)9-5-6-21-14(20)7-9;10-8-3-5(1-2-14-8)6(15)4-7(16)9(11,12)13;1-5(10)6-2-3-9-7(8)4-6;7-5-1-3-6(9-8)4-2-5;1-2-9-3(8)4(5,6)7;;;/h1-8H,(H3,21,22,23,26);1-8H;1-8H,(H2,20,21);1-3H,4H2;2-4H,1H3;1-4,9H,8H2;2H2,1H3;2*1H4;1H.
What are the key properties of 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride?
2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride has a molecular weight of 1773.18 g/mol, XLogP of 20.30, 13 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;1-(2-chloro-4-pyridinyl)ethanone;1-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutane-1,3-dione;ethyl 2,2,2-trifluoroacetate;(4-fluorophenyl)hydrazine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;[4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]urea;methane;hydrochloride is sourced from PubChem (CID 161234336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).