2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine

C14H19N3O — CID 131942525

IUPAC2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCCOc1ncccc1-c1cn(C(C)C)nc1C
InChIInChI=1S/C14H19N3O/c1-5-18-14-12(7-6-8-15-14)13-9-17(10(2)3)16-11(13)4/h6-10H,5H2,1-4H3
InChIKeyRATIBVNHSNRQMB-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.23
Rot. Bonds4

About 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine

2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine (PubChem CID 131942525) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine
PubChem CID131942525
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCCOc1ncccc1-c1cn(C(C)C)nc1C
InChIInChI=1S/C14H19N3O/c1-5-18-14-12(7-6-8-15-14)13-9-17(10(2)3)16-11(13)4/h6-10H,5H2,1-4H3
InChIKeyRATIBVNHSNRQMB-UHFFFAOYSA-N
XLogP3.23
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine?
The IUPAC name of 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine (CID 131942525) is 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine is CCOc1ncccc1-c1cn(C(C)C)nc1C.
What is the InChIKey of 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine?
The InChIKey is RATIBVNHSNRQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-18-14-12(7-6-8-15-14)13-9-17(10(2)3)16-11(13)4/h6-10H,5H2,1-4H3.
What are the key properties of 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine?
2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine has a molecular weight of 245.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 131942525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).