pyrazol-1-ylmethanediamine

C4H8N4 — CID 22946324

IUPACpyrazol-1-ylmethanediamine
SMILESNC(N)n1cccn1
InChIInChI=1S/C4H8N4/c5-4(6)8-3-1-2-7-8/h1-4H,5-6H2
InChIKeyHPSCKANAOMIKPC-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.74
Rot. Bonds1

About pyrazol-1-ylmethanediamine

pyrazol-1-ylmethanediamine (PubChem CID 22946324) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is pyrazol-1-ylmethanediamine.

Molecular Properties

Compound Namepyrazol-1-ylmethanediamine
PubChem CID22946324
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Namepyrazol-1-ylmethanediamine
SMILESNC(N)n1cccn1
InChIInChI=1S/C4H8N4/c5-4(6)8-3-1-2-7-8/h1-4H,5-6H2
InChIKeyHPSCKANAOMIKPC-UHFFFAOYSA-N
XLogP-0.74
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylmethanediamine?
The IUPAC name of pyrazol-1-ylmethanediamine (CID 22946324) is pyrazol-1-ylmethanediamine.
What is the SMILES notation for pyrazol-1-ylmethanediamine?
The canonical SMILES for pyrazol-1-ylmethanediamine is NC(N)n1cccn1.
What is the InChIKey of pyrazol-1-ylmethanediamine?
The InChIKey is HPSCKANAOMIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c5-4(6)8-3-1-2-7-8/h1-4H,5-6H2.
What are the key properties of pyrazol-1-ylmethanediamine?
pyrazol-1-ylmethanediamine has a molecular weight of 112.14 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylmethanediamine is sourced from PubChem (CID 22946324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).