2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine

C14H20N6 — CID 56817471

IUPAC2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
SMILESc1cnn(CCNCc2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C14H20N6/c1-2-7-19(6-1)14-16-11-13(12-17-14)10-15-5-9-20-8-3-4-18-20/h3-4,8,11-12,15H,1-2,5-7,9-10H2
InChIKeyUWFUUMQJJGBNQT-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.06
Rot. Bonds6

About 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine

2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 56817471) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID56817471
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
SMILESc1cnn(CCNCc2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C14H20N6/c1-2-7-19(6-1)14-16-11-13(12-17-14)10-15-5-9-20-8-3-4-18-20/h3-4,8,11-12,15H,1-2,5-7,9-10H2
InChIKeyUWFUUMQJJGBNQT-UHFFFAOYSA-N
XLogP1.06
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine (CID 56817471) is 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine is c1cnn(CCNCc2cnc(N3CCCC3)nc2)c1.
What is the InChIKey of 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is UWFUUMQJJGBNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-2-7-19(6-1)14-16-11-13(12-17-14)10-15-5-9-20-8-3-4-18-20/h3-4,8,11-12,15H,1-2,5-7,9-10H2.
What are the key properties of 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine?
2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 272.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 56817471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).