3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C24H35BN8O2 — CID 159893413

IUPAC3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCc1cncc(-c2ccn(C)n2)c1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Cn1ccc(N)n1
InChIInChI=1S/C10H17BN2O2.C10H11N3.C4H7N3/c1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;1-8-5-9(7-11-6-8)10-3-4-13(2)12-10;1-7-3-2-4(5)6-7/h6-7H,1-5H3;3-7H,1-2H3;2-3H,1H3,(H2,5,6)
InChIKeyNVAVTDHRDLJWKX-UHFFFAOYSA-N
MW478.41 g/mol
LogP2.51
Rot. Bonds2

About 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159893413) has the molecular formula C24H35BN8O2 and a molecular weight of 478.41 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID159893413
Molecular FormulaC24H35BN8O2
Molecular Weight478.41 g/mol
Exact Mass478.30
IUPAC Name3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCc1cncc(-c2ccn(C)n2)c1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Cn1ccc(N)n1
InChIInChI=1S/C10H17BN2O2.C10H11N3.C4H7N3/c1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;1-8-5-9(7-11-6-8)10-3-4-13(2)12-10;1-7-3-2-4(5)6-7/h6-7H,1-5H3;3-7H,1-2H3;2-3H,1H3,(H2,5,6)
InChIKeyNVAVTDHRDLJWKX-UHFFFAOYSA-N
XLogP2.51
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methylpyrazol-4-yl)-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 90182392
(10Z)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-4,12,15-trimethyl-3-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4,5,11-triazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,10-tetraen-12-amine;molecular hydrogen
CID 145614919
1-Cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazol-3-amine
CID 155207332
Methane;2-pyrazolo[1,5-a]pyrimidin-3-ylpyridin-4-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 157194189
Carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))
CID 158221680
Methane;1-methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
CID 159170464
1-Methyl-3-pyridin-3-ylpyrazol-5-amine;1-methyl-5-pyridin-3-ylpyrazol-3-amine
CID 159565025
3-(2-Methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160784934
Carbanide;carbon dioxide;deuterium monohydride;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))
CID 160864132
4-Bromo-3-fluoro-1-methylpyrazole;6-bromopyridin-2-amine;6-(3-fluoro-1-methylpyrazol-4-yl)pyridin-2-amine;3-fluoro-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161054323
5-Amino-1-propan-2-yl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrazole-4-carbonitrile
CID 162485604
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-2-amine
CID 164605777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159893413) is 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Cc1cncc(-c2ccn(C)n2)c1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Cn1ccc(N)n1.
What is the InChIKey of 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is NVAVTDHRDLJWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2.C10H11N3.C4H7N3/c1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;1-8-5-9(7-11-6-8)10-3-4-13(2)12-10;1-7-3-2-4(5)6-7/h6-7H,1-5H3;3-7H,1-2H3;2-3H,1H3,(H2,5,6).
What are the key properties of 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 478.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159893413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).