pyrazolidin-1-ylmethanamine

C4H11N3 — CID 19604000

IUPACpyrazolidin-1-ylmethanamine
SMILESNCN1CCCN1
InChIInChI=1S/C4H11N3/c5-4-7-3-1-2-6-7/h6H,1-5H2
InChIKeyBQLDDKQUTGXDOR-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.89
Rot. Bonds1

About pyrazolidin-1-ylmethanamine

pyrazolidin-1-ylmethanamine (PubChem CID 19604000) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is pyrazolidin-1-ylmethanamine.

Molecular Properties

Compound Namepyrazolidin-1-ylmethanamine
PubChem CID19604000
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Namepyrazolidin-1-ylmethanamine
SMILESNCN1CCCN1
InChIInChI=1S/C4H11N3/c5-4-7-3-1-2-6-7/h6H,1-5H2
InChIKeyBQLDDKQUTGXDOR-UHFFFAOYSA-N
XLogP-0.89
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazolidin-1-ylmethanamine?
The IUPAC name of pyrazolidin-1-ylmethanamine (CID 19604000) is pyrazolidin-1-ylmethanamine.
What is the SMILES notation for pyrazolidin-1-ylmethanamine?
The canonical SMILES for pyrazolidin-1-ylmethanamine is NCN1CCCN1.
What is the InChIKey of pyrazolidin-1-ylmethanamine?
The InChIKey is BQLDDKQUTGXDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c5-4-7-3-1-2-6-7/h6H,1-5H2.
What are the key properties of pyrazolidin-1-ylmethanamine?
pyrazolidin-1-ylmethanamine has a molecular weight of 101.15 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolidin-1-ylmethanamine is sourced from PubChem (CID 19604000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).