2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C11H20N4 — CID 115656617

IUPAC2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCC1CCCN1CCNCc1ccn[nH]1
InChIInChI=1S/C11H20N4/c1-10-3-2-7-15(10)8-6-12-9-11-4-5-13-14-11/h4-5,10,12H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyQFTUMAZAXCUOBF-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.98
Rot. Bonds5

About 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 115656617) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID115656617
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCC1CCCN1CCNCc1ccn[nH]1
InChIInChI=1S/C11H20N4/c1-10-3-2-7-15(10)8-6-12-9-11-4-5-13-14-11/h4-5,10,12H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyQFTUMAZAXCUOBF-UHFFFAOYSA-N
XLogP0.98
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 115656617) is 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is CC1CCCN1CCNCc1ccn[nH]1.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is QFTUMAZAXCUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10-3-2-7-15(10)8-6-12-9-11-4-5-13-14-11/h4-5,10,12H,2-3,6-9H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 115656617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).