2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine

C17H24N4 — CID 56781090

IUPAC2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
SMILESCc1cc(C)n(CC2CCCN2CCc2ccccn2)n1
InChIInChI=1S/C17H24N4/c1-14-12-15(2)21(19-14)13-17-7-5-10-20(17)11-8-16-6-3-4-9-18-16/h3-4,6,9,12,17H,5,7-8,10-11,13H2,1-2H3
InChIKeyIESRYGRUBDHULQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine

2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine (PubChem CID 56781090) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
PubChem CID56781090
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
SMILESCc1cc(C)n(CC2CCCN2CCc2ccccn2)n1
InChIInChI=1S/C17H24N4/c1-14-12-15(2)21(19-14)13-17-7-5-10-20(17)11-8-16-6-3-4-9-18-16/h3-4,6,9,12,17H,5,7-8,10-11,13H2,1-2H3
InChIKeyIESRYGRUBDHULQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine (CID 56781090) is 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine is Cc1cc(C)n(CC2CCCN2CCc2ccccn2)n1.
What is the InChIKey of 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine?
The InChIKey is IESRYGRUBDHULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-12-15(2)21(19-14)13-17-7-5-10-20(17)11-8-16-6-3-4-9-18-16/h3-4,6,9,12,17H,5,7-8,10-11,13H2,1-2H3.
What are the key properties of 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine?
2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine has a molecular weight of 284.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 56781090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).