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

C19H26BN5O2 — CID 160784934

IUPAC3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1nccc1-c1cccnc1.Cn1nccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H17BN2O2.C9H9N3/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-12-9(4-6-11-12)8-3-2-5-10-7-8/h6-7H,1-5H3;2-7H,1H3
InChIKeySBBRVPMDOHLMOZ-UHFFFAOYSA-N
MW367.26 g/mol
LogP2.20
Rot. Bonds2

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

3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 160784934) has the molecular formula C19H26BN5O2 and a molecular weight of 367.26 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID160784934
Molecular FormulaC19H26BN5O2
Molecular Weight367.26 g/mol
Exact Mass367.22
IUPAC Name3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1nccc1-c1cccnc1.Cn1nccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H17BN2O2.C9H9N3/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-12-9(4-6-11-12)8-3-2-5-10-7-8/h6-7H,1-5H3;2-7H,1H3
InChIKeySBBRVPMDOHLMOZ-UHFFFAOYSA-N
XLogP2.20
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
2-{2-[4-(1-tert-butyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}pyridine
CID 50978449
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-(1-Methylpyrazol-4-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137658011
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6899954
2-Methyl-2H-indazole-5-boronic acid, pinacol ester
CID 44118253
1-benzyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 129984305
2,3-Dimethyl-4-(1-phenylpyrazol-4-yl)pyridine
CID 70683532
3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine
CID 71455665
US9790203, Example 27
CID 76283635
1-(4-Pyridinomethyl)pyrazole-4-boronic acid pinacol ester
CID 17749926
1-(Pyridin-2-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester
CID 17999186

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 160784934) is 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Cn1nccc1-c1cccnc1.Cn1nccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is SBBRVPMDOHLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2.C9H9N3/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5;1-12-9(4-6-11-12)8-3-2-5-10-7-8/h6-7H,1-5H3;2-7H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 367.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 160784934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).