4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C90H80B2Br2ClF9N18O6 — CID 157975115

IUPAC4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESB1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N.B(C1=CC=CC=C1F)(O)O.CC1=C(C=NN1)Br.CC1=NN(C=C1C2=CN=C(C=C2)N)C3=CC=CC=C3F.CC1=NN(C=C1C2=CN=C(C=C2)N)C3=CC=CC=C3F.CC1=NN(C=C1C2=CN=C(C=C2)NC(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4F.CC1=NN(C=C1Br)C2=CC=CC=C2F.C1=CC(=C(C(=C1)F)C(=O)Cl)F
InChIInChI=1S/C22H15F3N4O.2C15H13FN4.C11H17BN2O2.C10H8BrFN2.C7H3ClF2O.C6H6BFO2.C4H5BrN2/c1-13-15(12-29(28-13)19-8-3-2-5-16(19)23)14-9-10-20(26-11-14)27-22(30)21-17(24)6-4-7-18(21)25;2*1-10-12(11-6-7-15(17)18-8-11)9-20(19-10)14-5-3-2-4-13(14)16;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7-8(11)6-14(13-7)10-5-3-2-4-9(10)12;8-7(11)6-4(9)2-1-3-5(6)10;8-6-4-2-1-3-5(6)7(9)10;1-3-4(5)2-6-7-3/h2-12H,1H3,(H,26,27,30);2*2-9H,1H3,(H2,17,18);5-7H,1-4H3,(H2,13,14);2-6H,1H3;1-3H;1-4,9-10H;2H,1H3,(H,6,7)
InChIKeyFATJDCRFCREGPU-UHFFFAOYSA-N
MW1897.60 g/mol
LogP—
Rot. Bonds12

About 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 157975115) has the molecular formula C90H80B2Br2ClF9N18O6 and a molecular weight of 1897.60 g/mol. Its IUPAC name is 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID157975115
Molecular FormulaC90H80B2Br2ClF9N18O6
Molecular Weight1897.60 g/mol
Exact Mass1896.46
IUPAC Name4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESB1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N.B(C1=CC=CC=C1F)(O)O.CC1=C(C=NN1)Br.CC1=NN(C=C1C2=CN=C(C=C2)N)C3=CC=CC=C3F.CC1=NN(C=C1C2=CN=C(C=C2)N)C3=CC=CC=C3F.CC1=NN(C=C1C2=CN=C(C=C2)NC(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4F.CC1=NN(C=C1Br)C2=CC=CC=C2F.C1=CC(=C(C(=C1)F)C(=O)Cl)F
InChIInChI=1S/C22H15F3N4O.2C15H13FN4.C11H17BN2O2.C10H8BrFN2.C7H3ClF2O.C6H6BFO2.C4H5BrN2/c1-13-15(12-29(28-13)19-8-3-2-5-16(19)23)14-9-10-20(26-11-14)27-22(30)21-17(24)6-4-7-18(21)25;2*1-10-12(11-6-7-15(17)18-8-11)9-20(19-10)14-5-3-2-4-13(14)16;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7-8(11)6-14(13-7)10-5-3-2-4-9(10)12;8-7(11)6-4(9)2-1-3-5(6)10;8-6-4-2-1-3-5(6)7(9)10;1-3-4(5)2-6-7-3/h2-12H,1H3,(H,26,27,30);2*2-9H,1H3,(H2,17,18);5-7H,1-4H3,(H2,13,14);2-6H,1H3;1-3H;1-4,9-10H;2H,1H3,(H,6,7)
InChIKeyFATJDCRFCREGPU-UHFFFAOYSA-N
XLogP—
TPSA335.00 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms128
Complexity1700

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001897.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 157975115) is 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N.B(C1=CC=CC=C1F)(O)O.CC1=C(C=NN1)Br.CC1=NN(C=C1C2=CN=C(C=C2)N)C3=CC=CC=C3F.CC1=NN(C=C1C2=CN=C(C=C2)N)C3=CC=CC=C3F.CC1=NN(C=C1C2=CN=C(C=C2)NC(=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4F.CC1=NN(C=C1Br)C2=CC=CC=C2F.C1=CC(=C(C(=C1)F)C(=O)Cl)F.
What is the InChIKey of 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is FATJDCRFCREGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O.2C15H13FN4.C11H17BN2O2.C10H8BrFN2.C7H3ClF2O.C6H6BFO2.C4H5BrN2/c1-13-15(12-29(28-13)19-8-3-2-5-16(19)23)14-9-10-20(26-11-14)27-22(30)21-17(24)6-4-7-18(21)25;2*1-10-12(11-6-7-15(17)18-8-11)9-20(19-10)14-5-3-2-4-13(14)16;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-7-8(11)6-14(13-7)10-5-3-2-4-9(10)12;8-7(11)6-4(9)2-1-3-5(6)10;8-6-4-2-1-3-5(6)7(9)10;1-3-4(5)2-6-7-3/h2-12H,1H3,(H,26,27,30);2*2-9H,1H3,(H2,17,18);5-7H,1-4H3,(H2,13,14);2-6H,1H3;1-3H;1-4,9-10H;2H,1H3,(H,6,7).
What are the key properties of 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1897.60 g/mol, XLogP of not available, 12 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-fluorophenyl)-3-methylpyrazole;4-bromo-5-methyl-1H-pyrazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]-2-pyridinyl]benzamide;(2-fluorophenyl)boronic acid;bis(5-[1-(2-fluorophenyl)-3-methylpyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 157975115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).