3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine

C15H20BN3O2 — CID 175118764

IUPAC3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine
SMILESCn1nc(-c2cccnc2)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)13-9-12(18-19(13)5)11-7-6-8-17-10-11/h6-10H,1-5H3
InChIKeyCXCKHVFFVAKOOS-UHFFFAOYSA-N
MW285.16 g/mol
LogP1.78
Rot. Bonds2

About 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine

3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 175118764) has the molecular formula C15H20BN3O2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine
PubChem CID175118764
Molecular FormulaC15H20BN3O2
Molecular Weight285.16 g/mol
Exact Mass285.16
IUPAC Name3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine
SMILESCn1nc(-c2cccnc2)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)13-9-12(18-19(13)5)11-7-6-8-17-10-11/h6-10H,1-5H3
InChIKeyCXCKHVFFVAKOOS-UHFFFAOYSA-N
XLogP1.78
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-pyridin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 59638589
3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 155691422
2-pyridin-3-yl-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 90182370
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazol-5-amine
CID 75486820
3-[1-[3-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-5-methylpyrazol-3-yl]pyridine
CID 171111529
3-[3-[3-chloro-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;1,3-dibromo-5-chlorobenzene;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride
CID 158705411
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-1-yl]pyridine
CID 66521628
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
CID 10725945
1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 138029000
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
3-[3-[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 70670361

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine (CID 175118764) is 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine is Cn1nc(-c2cccnc2)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine?
The InChIKey is CXCKHVFFVAKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)13-9-12(18-19(13)5)11-7-6-8-17-10-11/h6-10H,1-5H3.
What are the key properties of 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine?
3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 285.16 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 175118764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).