2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine

C12H11N3O2 — CID 141187555

IUPAC2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine
SMILESC1=COC(Cn2cc(-c3ccccn3)cn2)O1
InChIInChI=1S/C12H11N3O2/c1-2-4-13-11(3-1)10-7-14-15(8-10)9-12-16-5-6-17-12/h1-8,12H,9H2
InChIKeyBFTSFGCQUDHMJP-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.79
Rot. Bonds3

About 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine

2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine (PubChem CID 141187555) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine
PubChem CID141187555
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine
SMILESC1=COC(Cn2cc(-c3ccccn3)cn2)O1
InChIInChI=1S/C12H11N3O2/c1-2-4-13-11(3-1)10-7-14-15(8-10)9-12-16-5-6-17-12/h1-8,12H,9H2
InChIKeyBFTSFGCQUDHMJP-UHFFFAOYSA-N
XLogP1.79
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine (CID 141187555) is 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine is C1=COC(Cn2cc(-c3ccccn3)cn2)O1.
What is the InChIKey of 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine?
The InChIKey is BFTSFGCQUDHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-2-4-13-11(3-1)10-7-14-15(8-10)9-12-16-5-6-17-12/h1-8,12H,9H2.
What are the key properties of 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine?
2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine has a molecular weight of 229.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dioxol-2-ylmethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 141187555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).