N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide

C92H91BrCl9F9N24O9 — CID 159568798

IUPACN-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide
SMILESCC(C)C(=O)Cc1cn(-c2cncc(Cl)c2)nc1Cl.CCCC(=O)Cc1cn(-c2cncc(OC)c2)nc1Cl.COc1cncc(-n2cc(CC(=O)C(C)C)c(Cl)n2)c1.Cc1cncc(-n2cc(NC(=O)C(C)C)c(Cl)n2)c1.Cc1cncc(-n2cc(NC(=O)CCC(F)(F)F)c(Cl)n2)c1.O=C(CCC(F)(F)F)Cc1cn(-c2cncc(Cl)c2)nc1Cl.O=C(CCC(F)(F)F)Nc1cn(-c2cncc(Br)c2)nc1Cl
InChIInChI=1S/2C14H16ClN3O2.C13H10Cl2F3N3O.C13H13Cl2N3O.C13H12ClF3N4O.C13H15ClN4O.C12H9BrClF3N4O/c1-9(2)13(19)4-10-8-18(17-14(10)15)11-5-12(20-3)7-16-6-11;1-3-4-12(19)5-10-9-18(17-14(10)15)11-6-13(20-2)8-16-7-11;14-9-4-10(6-19-5-9)21-7-8(12(15)20-21)3-11(22)1-2-13(16,17)18;1-8(2)12(19)3-9-7-18(17-13(9)15)11-4-10(14)5-16-6-11;1-8-4-9(6-18-5-8)21-7-10(12(14)20-21)19-11(22)2-3-13(15,16)17;1-8(2)13(19)16-11-7-18(17-12(11)14)10-4-9(3)5-15-6-10;13-7-3-8(5-18-4-7)21-6-9(11(14)20-21)19-10(22)1-2-12(15,16)17/h5-9H,4H2,1-3H3;6-9H,3-5H2,1-2H3;4-7H,1-3H2;4-8H,3H2,1-2H3;4-7H,2-3H2,1H3,(H,19,22);4-8H,1-3H3,(H,16,19);3-6H,1-2H2,(H,19,22)
InChIKeyMHNYBRAZXXGYNJ-UHFFFAOYSA-N
MW2246.86 g/mol
LogP23.21
Rot. Bonds31

About N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide

N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide (PubChem CID 159568798) has the molecular formula C92H91BrCl9F9N24O9 and a molecular weight of 2246.86 g/mol. Its IUPAC name is N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide
PubChem CID159568798
Molecular FormulaC92H91BrCl9F9N24O9
Molecular Weight2246.86 g/mol
Exact Mass2240.36
IUPAC NameN-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide
SMILESCC(C)C(=O)Cc1cn(-c2cncc(Cl)c2)nc1Cl.CCCC(=O)Cc1cn(-c2cncc(OC)c2)nc1Cl.COc1cncc(-n2cc(CC(=O)C(C)C)c(Cl)n2)c1.Cc1cncc(-n2cc(NC(=O)C(C)C)c(Cl)n2)c1.Cc1cncc(-n2cc(NC(=O)CCC(F)(F)F)c(Cl)n2)c1.O=C(CCC(F)(F)F)Cc1cn(-c2cncc(Cl)c2)nc1Cl.O=C(CCC(F)(F)F)Nc1cn(-c2cncc(Br)c2)nc1Cl
InChIInChI=1S/2C14H16ClN3O2.C13H10Cl2F3N3O.C13H13Cl2N3O.C13H12ClF3N4O.C13H15ClN4O.C12H9BrClF3N4O/c1-9(2)13(19)4-10-8-18(17-14(10)15)11-5-12(20-3)7-16-6-11;1-3-4-12(19)5-10-9-18(17-14(10)15)11-6-13(20-2)8-16-7-11;14-9-4-10(6-19-5-9)21-7-8(12(15)20-21)3-11(22)1-2-13(16,17)18;1-8(2)12(19)3-9-7-18(17-13(9)15)11-4-10(14)5-16-6-11;1-8-4-9(6-18-5-8)21-7-10(12(14)20-21)19-11(22)2-3-13(15,16)17;1-8(2)13(19)16-11-7-18(17-12(11)14)10-4-9(3)5-15-6-10;13-7-3-8(5-18-4-7)21-6-9(11(14)20-21)19-10(22)1-2-12(15,16)17/h5-9H,4H2,1-3H3;6-9H,3-5H2,1-2H3;4-7H,1-3H2;4-8H,3H2,1-2H3;4-7H,2-3H2,1H3,(H,19,22);4-8H,1-3H3,(H,16,19);3-6H,1-2H2,(H,19,22)
InChIKeyMHNYBRAZXXGYNJ-UHFFFAOYSA-N
XLogP23.21
TPSA389.01 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.86
LogP ≤ 523.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide 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

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3-chloro-1-(5-methoxy-3-pyridinyl)-N-methylpyrazol-4-amine
CID 86700650
N-(5-bromo-2-chloro-3-pyridinyl)-4,4,4-trifluorobutanamide
CID 102979349
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
CID 86700603
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592
N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]phenyl]butanamide
CID 1313437
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluoro-2-methylbutanamide
CID 118023218
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616368
N-[3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
CID 17174576
N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 102979199

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide (CID 159568798) is N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide is CC(C)C(=O)Cc1cn(-c2cncc(Cl)c2)nc1Cl.CCCC(=O)Cc1cn(-c2cncc(OC)c2)nc1Cl.COc1cncc(-n2cc(CC(=O)C(C)C)c(Cl)n2)c1.Cc1cncc(-n2cc(NC(=O)C(C)C)c(Cl)n2)c1.Cc1cncc(-n2cc(NC(=O)CCC(F)(F)F)c(Cl)n2)c1.O=C(CCC(F)(F)F)Cc1cn(-c2cncc(Cl)c2)nc1Cl.O=C(CCC(F)(F)F)Nc1cn(-c2cncc(Br)c2)nc1Cl.
What is the InChIKey of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide?
The InChIKey is MHNYBRAZXXGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16ClN3O2.C13H10Cl2F3N3O.C13H13Cl2N3O.C13H12ClF3N4O.C13H15ClN4O.C12H9BrClF3N4O/c1-9(2)13(19)4-10-8-18(17-14(10)15)11-5-12(20-3)7-16-6-11;1-3-4-12(19)5-10-9-18(17-14(10)15)11-6-13(20-2)8-16-7-11;14-9-4-10(6-19-5-9)21-7-8(12(15)20-21)3-11(22)1-2-13(16,17)18;1-8(2)12(19)3-9-7-18(17-13(9)15)11-4-10(14)5-16-6-11;1-8-4-9(6-18-5-8)21-7-10(12(14)20-21)19-11(22)2-3-13(15,16)17;1-8(2)13(19)16-11-7-18(17-12(11)14)10-4-9(3)5-15-6-10;13-7-3-8(5-18-4-7)21-6-9(11(14)20-21)19-10(22)1-2-12(15,16)17/h5-9H,4H2,1-3H3;6-9H,3-5H2,1-2H3;4-7H,1-3H2;4-8H,3H2,1-2H3;4-7H,2-3H2,1H3,(H,19,22);4-8H,1-3H3,(H,16,19);3-6H,1-2H2,(H,19,22).
What are the key properties of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide?
N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide has a molecular weight of 2246.86 g/mol, XLogP of 23.21, 31 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-4,4,4-trifluorobutanamide;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-5,5,5-trifluoropentan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]-3-methylbutan-2-one;1-[3-chloro-1-(5-methoxy-3-pyridinyl)pyrazol-4-yl]pentan-2-one;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-2-methylpropanamide;N-[3-chloro-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 159568798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).