2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine

C22H28N4 — CID 167051915

IUPAC2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine
SMILESCCc1cc(CC(C)c2cccc(CC(C)c3cccnc3)n2)n(C)n1
InChIInChI=1S/C22H28N4/c1-5-19-14-21(26(4)25-19)13-17(3)22-10-6-9-20(24-22)12-16(2)18-8-7-11-23-15-18/h6-11,14-17H,5,12-13H2,1-4H3
InChIKeyDQPXXSBRKRUEOF-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.46
Rot. Bonds7

About 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine

2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine (PubChem CID 167051915) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine.

Molecular Properties

Compound Name2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine
PubChem CID167051915
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine
SMILESCCc1cc(CC(C)c2cccc(CC(C)c3cccnc3)n2)n(C)n1
InChIInChI=1S/C22H28N4/c1-5-19-14-21(26(4)25-19)13-17(3)22-10-6-9-20(24-22)12-16(2)18-8-7-11-23-15-18/h6-11,14-17H,5,12-13H2,1-4H3
InChIKeyDQPXXSBRKRUEOF-UHFFFAOYSA-N
XLogP4.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
The IUPAC name of 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine (CID 167051915) is 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine.
What is the SMILES notation for 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
The canonical SMILES for 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine is CCc1cc(CC(C)c2cccc(CC(C)c3cccnc3)n2)n(C)n1.
What is the InChIKey of 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
The InChIKey is DQPXXSBRKRUEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-5-19-14-21(26(4)25-19)13-17(3)22-10-6-9-20(24-22)12-16(2)18-8-7-11-23-15-18/h6-11,14-17H,5,12-13H2,1-4H3.
What are the key properties of 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine?
2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine has a molecular weight of 348.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]-6-(2-pyridin-3-ylpropyl)pyridine is sourced from PubChem (CID 167051915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).