4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine

C14H19N3O2 — CID 75519944

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine
SMILESCOCCOc1cc(Cn2nc(C)cc2C)ccn1
InChIInChI=1S/C14H19N3O2/c1-11-8-12(2)17(16-11)10-13-4-5-15-14(9-13)19-7-6-18-3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyXDDOOXRJPPXHBB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.97
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine

4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine (PubChem CID 75519944) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine
PubChem CID75519944
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine
SMILESCOCCOc1cc(Cn2nc(C)cc2C)ccn1
InChIInChI=1S/C14H19N3O2/c1-11-8-12(2)17(16-11)10-13-4-5-15-14(9-13)19-7-6-18-3/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyXDDOOXRJPPXHBB-UHFFFAOYSA-N
XLogP1.97
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine (CID 75519944) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine is COCCOc1cc(Cn2nc(C)cc2C)ccn1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine?
The InChIKey is XDDOOXRJPPXHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-8-12(2)17(16-11)10-13-4-5-15-14(9-13)19-7-6-18-3/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine has a molecular weight of 261.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine is sourced from PubChem (CID 75519944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).