5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine

C17H24N4 — CID 110102056

IUPAC5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1ccc(CC2CCN(C)C2)cn1
InChIInChI=1S/C17H24N4/c1-3-9-21-17(6-8-19-21)16-5-4-14(12-18-16)11-15-7-10-20(2)13-15/h4-6,8,12,15H,3,7,9-11,13H2,1-2H3
InChIKeyDAYRYAKCNWHCPZ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.85
Rot. Bonds5

About 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine

5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine (PubChem CID 110102056) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
PubChem CID110102056
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1ccc(CC2CCN(C)C2)cn1
InChIInChI=1S/C17H24N4/c1-3-9-21-17(6-8-19-21)16-5-4-14(12-18-16)11-15-7-10-20(2)13-15/h4-6,8,12,15H,3,7,9-11,13H2,1-2H3
InChIKeyDAYRYAKCNWHCPZ-UHFFFAOYSA-N
XLogP2.85
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine (CID 110102056) is 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1ccc(CC2CCN(C)C2)cn1.
What is the InChIKey of 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is DAYRYAKCNWHCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-9-21-17(6-8-19-21)16-5-4-14(12-18-16)11-15-7-10-20(2)13-15/h4-6,8,12,15H,3,7,9-11,13H2,1-2H3.
What are the key properties of 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine?
5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 284.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 110102056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).