1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane

C69H63Br5F15N23O8 — CID 159450353

IUPAC1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane
SMILESC.CC(=O)C(C)(C)C(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CC(C)(C(=O)NN)C(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CC1(C)C(=O)NN=C1c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CN1N=C(c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)C(C)(C)C1=O.NN.O=C(O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1
InChIInChI=1S/C15H13BrF3N5O.C15H13BrF3N3O2.C14H13BrF3N5O2.C14H11BrF3N5O.C10H5BrF3N3O2.CH4.H4N2/c1-14(2)12(22-23(3)13(14)25)9-6-10(15(17,18)19)24(21-9)11-5-4-8(16)7-20-11;1-8(23)14(2,3)13(24)10-6-11(15(17,18)19)22(21-10)12-5-4-9(16)7-20-12;1-13(2,12(25)21-19)11(24)8-5-9(14(16,17)18)23(22-8)10-4-3-7(15)6-20-10;1-13(2)11(20-21-12(13)24)8-5-9(14(16,17)18)23(22-8)10-4-3-7(15)6-19-10;11-5-1-2-8(15-4-5)17-7(10(12,13)14)3-6(16-17)9(18)19;;1-2/h4-7H,1-3H3;4-7H,1-3H3;3-6H,19H2,1-2H3,(H,21,25);3-6H,1-2H3,(H,21,24);1-4H,(H,18,19);1H4;1-2H2
InChIKeyLTHHZONRKDZFTK-UHFFFAOYSA-N
MW2026.91 g/mol
LogP14.46
Rot. Bonds14

About 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane

1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane (PubChem CID 159450353) has the molecular formula C69H63Br5F15N23O8 and a molecular weight of 2026.91 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane
PubChem CID159450353
Molecular FormulaC69H63Br5F15N23O8
Molecular Weight2026.91 g/mol
Exact Mass2021.09
IUPAC Name1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane
SMILESC.CC(=O)C(C)(C)C(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CC(C)(C(=O)NN)C(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CC1(C)C(=O)NN=C1c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CN1N=C(c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)C(C)(C)C1=O.NN.O=C(O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1
InChIInChI=1S/C15H13BrF3N5O.C15H13BrF3N3O2.C14H13BrF3N5O2.C14H11BrF3N5O.C10H5BrF3N3O2.CH4.H4N2/c1-14(2)12(22-23(3)13(14)25)9-6-10(15(17,18)19)24(21-9)11-5-4-8(16)7-20-11;1-8(23)14(2,3)13(24)10-6-11(15(17,18)19)22(21-10)12-5-4-9(16)7-20-12;1-13(2,12(25)21-19)11(24)8-5-9(14(16,17)18)23(22-8)10-4-3-7(15)6-20-10;1-13(2)11(20-21-12(13)24)8-5-9(14(16,17)18)23(22-8)10-4-3-7(15)6-19-10;11-5-1-2-8(15-4-5)17-7(10(12,13)14)3-6(16-17)9(18)19;;1-2/h4-7H,1-3H3;4-7H,1-3H3;3-6H,19H2,1-2H3,(H,21,25);3-6H,1-2H3,(H,21,24);1-4H,(H,18,19);1H4;1-2H2
InChIKeyLTHHZONRKDZFTK-UHFFFAOYSA-N
XLogP14.46
TPSA423.35 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002026.91
LogP ≤ 514.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane (CID 159450353) is 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane is C.CC(=O)C(C)(C)C(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CC(C)(C(=O)NN)C(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CC1(C)C(=O)NN=C1c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CN1N=C(c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)C(C)(C)C1=O.NN.O=C(O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane?
The InChIKey is LTHHZONRKDZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N5O.C15H13BrF3N3O2.C14H13BrF3N5O2.C14H11BrF3N5O.C10H5BrF3N3O2.CH4.H4N2/c1-14(2)12(22-23(3)13(14)25)9-6-10(15(17,18)19)24(21-9)11-5-4-8(16)7-20-11;1-8(23)14(2,3)13(24)10-6-11(15(17,18)19)22(21-10)12-5-4-9(16)7-20-12;1-13(2,12(25)21-19)11(24)8-5-9(14(16,17)18)23(22-8)10-4-3-7(15)6-20-10;1-13(2)11(20-21-12(13)24)8-5-9(14(16,17)18)23(22-8)10-4-3-7(15)6-19-10;11-5-1-2-8(15-4-5)17-7(10(12,13)14)3-6(16-17)9(18)19;;1-2/h4-7H,1-3H3;4-7H,1-3H3;3-6H,19H2,1-2H3,(H,21,25);3-6H,1-2H3,(H,21,24);1-4H,(H,18,19);1H4;1-2H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane?
1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane has a molecular weight of 2026.91 g/mol, XLogP of 14.46, 14 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid;1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethylbutane-1,3-dione;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-3-oxopropanehydrazide;3-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-4,4-dimethyl-1H-pyrazol-5-one;5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,4,4-trimethylpyrazol-3-one;hydrazine;methane is sourced from PubChem (CID 159450353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).