3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one

C15H20BN3O3 — CID 172644225

IUPAC3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
SMILESCc1ccn(-c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]c2=O)n1
InChIInChI=1S/C15H20BN3O3/c1-10-6-7-19(18-10)12-8-11(9-17-13(12)20)16-21-14(2,3)15(4,5)22-16/h6-9H,1-5H3,(H,17,20)
InChIKeyMDGCMXQOSMVODC-UHFFFAOYSA-N
MW301.16 g/mol
LogP1.17
Rot. Bonds2

About 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one

3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one (PubChem CID 172644225) has the molecular formula C15H20BN3O3 and a molecular weight of 301.16 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
PubChem CID172644225
Molecular FormulaC15H20BN3O3
Molecular Weight301.16 g/mol
Exact Mass301.16
IUPAC Name3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
SMILESCc1ccn(-c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]c2=O)n1
InChIInChI=1S/C15H20BN3O3/c1-10-6-7-19(18-10)12-8-11(9-17-13(12)20)16-21-14(2,3)15(4,5)22-16/h6-9H,1-5H3,(H,17,20)
InChIKeyMDGCMXQOSMVODC-UHFFFAOYSA-N
XLogP1.17
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one 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

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 71303008
3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 172645494
3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 141330716
2,2-dimethyl-5-[[2-(3-methylpyrazol-1-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539952
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazol-3-one
CID 150005175
1-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinoline-4-carbonitrile
CID 170741876
molecular hydrogen;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 145180808
6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 121232307
6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinolin-1-one
CID 176669343
methyl 2-(2-methylimidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 172644151
(E)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]prop-2-enoic acid
CID 62491216
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 137272926

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one (CID 172644225) is 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one is Cc1ccn(-c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]c2=O)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one?
The InChIKey is MDGCMXQOSMVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BN3O3/c1-10-6-7-19(18-10)12-8-11(9-17-13(12)20)16-21-14(2,3)15(4,5)22-16/h6-9H,1-5H3,(H,17,20).
What are the key properties of 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one?
3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one has a molecular weight of 301.16 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 172644225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).