5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine

C14H19N3O — CID 59588874

IUPAC5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2C)cn1
InChIInChI=1S/C14H19N3O/c1-10-8-12(14(2,3)4)16-17(10)11-6-7-13(18-5)15-9-11/h6-9H,1-5H3
InChIKeyHZKLDVXRXPINPX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.88
Rot. Bonds2

About 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine

5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine (PubChem CID 59588874) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine.

Molecular Properties

Compound Name5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine
PubChem CID59588874
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine
SMILESCOc1ccc(-n2nc(C(C)(C)C)cc2C)cn1
InChIInChI=1S/C14H19N3O/c1-10-8-12(14(2,3)4)16-17(10)11-6-7-13(18-5)15-9-11/h6-9H,1-5H3
InChIKeyHZKLDVXRXPINPX-UHFFFAOYSA-N
XLogP2.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
2-[4-(4-Methoxy-phenyl)-1-methyl-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 44351275
US11026923, Example 67
CID 155773325
US11026923, Example 62
CID 155773331
4-[3-(4-Methoxyphenyl)triazol-4-yl]pyridine
CID 12440914
3-[3-(4-Methoxyphenyl)triazol-4-yl]pyridine
CID 13949167
N-[(6-methoxypyridin-3-yl)methyl]-2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 46994141
1-(6-Methoxy-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47220635
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 51104898
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 51104993
2-Methoxy-5-(4-pyridin-3-yltriazol-2-yl)pyridine
CID 172434619
3-[2-(3-Methoxyphenyl)triazol-4-yl]pyridine
CID 172437513

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine?
The IUPAC name of 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine (CID 59588874) is 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine.
What is the SMILES notation for 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine?
The canonical SMILES for 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine is COc1ccc(-n2nc(C(C)(C)C)cc2C)cn1.
What is the InChIKey of 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine?
The InChIKey is HZKLDVXRXPINPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-8-12(14(2,3)4)16-17(10)11-6-7-13(18-5)15-9-11/h6-9H,1-5H3.
What are the key properties of 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine?
5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine has a molecular weight of 245.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butyl-5-methylpyrazol-1-yl)-2-methoxypyridine is sourced from PubChem (CID 59588874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).