4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine

C11H13N3O2 — CID 56956042

IUPAC4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine
SMILESCOC(OC)c1ccnn1-c1ccncc1
InChIInChI=1S/C11H13N3O2/c1-15-11(16-2)10-5-8-13-14(10)9-3-6-12-7-4-9/h3-8,11H,1-2H3
InChIKeyYYXJQZCISROBSV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.56
Rot. Bonds4

About 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine

4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine (PubChem CID 56956042) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine
PubChem CID56956042
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine
SMILESCOC(OC)c1ccnn1-c1ccncc1
InChIInChI=1S/C11H13N3O2/c1-15-11(16-2)10-5-8-13-14(10)9-3-6-12-7-4-9/h3-8,11H,1-2H3
InChIKeyYYXJQZCISROBSV-UHFFFAOYSA-N
XLogP1.56
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine (CID 56956042) is 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine is COC(OC)c1ccnn1-c1ccncc1.
What is the InChIKey of 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine?
The InChIKey is YYXJQZCISROBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-15-11(16-2)10-5-8-13-14(10)9-3-6-12-7-4-9/h3-8,11H,1-2H3.
What are the key properties of 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine?
4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine has a molecular weight of 219.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethoxymethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 56956042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).