4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

C148H159B3BrCl2IN16O6P4Pd — CID 157243328

IUPAC4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCc1ccc(-n2cccn2)cc1.Cc1nn(C)cc1-c1ccnc(Cl)c1.Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccc(-n3cccn3)cc2)c1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Cc1nn(C)cc1Br.Clc1cc(I)ccn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N6.4C18H15P.C12H24B2O4.C12H14N2.C11H19BN2O2.C10H10ClN3.C5H7BrN2.C5H3ClIN.Pd/c1-16-20(15-26(3)24-16)18-9-11-22-21(13-18)25(2)14-17-5-7-19(8-6-17)27-12-4-10-23-27;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-4-11-5-7-12(8-6-11)14-10-3-9-13-14;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-7-9(6-14(2)13-7)8-3-4-12-10(11)5-8;1-4-5(6)3-8(2)7-4;6-5-3-4(7)1-2-8-5;/h4-13,15H,14H2,1-3H3;4*1-15H;1-8H3;3,5-10H,2,4H2,1H3;7H,1-6H3;3-6H,1-2H3;3H,1-2H3;1-3H;
InChIKeyAVLRPIOCPIACTP-UHFFFAOYSA-N
MW2798.47 g/mol
LogP29.77
Rot. Bonds23

About 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)

4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (PubChem CID 157243328) has the molecular formula C148H159B3BrCl2IN16O6P4Pd and a molecular weight of 2798.47 g/mol. Its IUPAC name is 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
PubChem CID157243328
Molecular FormulaC148H159B3BrCl2IN16O6P4Pd
Molecular Weight2798.47 g/mol
Exact Mass2794.85
IUPAC Name4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCc1ccc(-n2cccn2)cc1.Cc1nn(C)cc1-c1ccnc(Cl)c1.Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccc(-n3cccn3)cc2)c1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Cc1nn(C)cc1Br.Clc1cc(I)ccn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N6.4C18H15P.C12H24B2O4.C12H14N2.C11H19BN2O2.C10H10ClN3.C5H7BrN2.C5H3ClIN.Pd/c1-16-20(15-26(3)24-16)18-9-11-22-21(13-18)25(2)14-17-5-7-19(8-6-17)27-12-4-10-23-27;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-4-11-5-7-12(8-6-11)14-10-3-9-13-14;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-7-9(6-14(2)13-7)8-3-4-12-10(11)5-8;1-4-5(6)3-8(2)7-4;6-5-3-4(7)1-2-8-5;/h4-13,15H,14H2,1-3H3;4*1-15H;1-8H3;3,5-10H,2,4H2,1H3;7H,1-6H3;3-6H,1-2H3;3H,1-2H3;1-3H;
InChIKeyAVLRPIOCPIACTP-UHFFFAOYSA-N
XLogP29.77
TPSA204.21 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002798.47
LogP ≤ 529.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride
CID 158368756
3-Bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;4-chloro-2-(5-chloro-2-fluorophenyl)-1,8-naphthyridine;2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine;dichloropalladium;3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bis(triphenylphosphane)
CID 160117165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The IUPAC name of 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) (CID 157243328) is 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane).
What is the SMILES notation for 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The canonical SMILES for 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCc1ccc(-n2cccn2)cc1.Cc1nn(C)cc1-c1ccnc(Cl)c1.Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccc(-n3cccn3)cc2)c1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Cc1nn(C)cc1Br.Clc1cc(I)ccn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
The InChIKey is AVLRPIOCPIACTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6.4C18H15P.C12H24B2O4.C12H14N2.C11H19BN2O2.C10H10ClN3.C5H7BrN2.C5H3ClIN.Pd/c1-16-20(15-26(3)24-16)18-9-11-22-21(13-18)25(2)14-17-5-7-19(8-6-17)27-12-4-10-23-27;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-4-11-5-7-12(8-6-11)14-10-3-9-13-14;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-7-9(6-14(2)13-7)8-3-4-12-10(11)5-8;1-4-5(6)3-8(2)7-4;6-5-3-4(7)1-2-8-5;/h4-13,15H,14H2,1-3H3;4*1-15H;1-8H3;3,5-10H,2,4H2,1H3;7H,1-6H3;3-6H,1-2H3;3H,1-2H3;1-3H;.
What are the key properties of 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)?
4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) has a molecular weight of 2798.47 g/mol, XLogP of 29.77, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethylpyrazole;2-chloro-4-(1,3-dimethylpyrazol-4-yl)pyridine;2-chloro-4-iodopyridine;4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium;1-(4-propylphenyl)pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157243328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).