2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine

C19H28N4 — CID 110101835

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cccc(CC2CCN(C(C)C)C2)n1
InChIInChI=1S/C19H28N4/c1-4-11-23-19(8-10-20-23)18-7-5-6-17(21-18)13-16-9-12-22(14-16)15(2)3/h5-8,10,15-16H,4,9,11-14H2,1-3H3
InChIKeyYROODDGMWSXDGT-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.63
Rot. Bonds6

About 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine

2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine (PubChem CID 110101835) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine
PubChem CID110101835
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cccc(CC2CCN(C(C)C)C2)n1
InChIInChI=1S/C19H28N4/c1-4-11-23-19(8-10-20-23)18-7-5-6-17(21-18)13-16-9-12-22(14-16)15(2)3/h5-8,10,15-16H,4,9,11-14H2,1-3H3
InChIKeyYROODDGMWSXDGT-UHFFFAOYSA-N
XLogP3.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine (CID 110101835) is 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1cccc(CC2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is YROODDGMWSXDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-4-11-23-19(8-10-20-23)18-7-5-6-17(21-18)13-16-9-12-22(14-16)15(2)3/h5-8,10,15-16H,4,9,11-14H2,1-3H3.
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine?
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 312.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 110101835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).