pyrazol-1-ylcyanamide

C4H4N4 — CID 22178161

IUPACpyrazol-1-ylcyanamide
SMILESN#CNn1cccn1
InChIInChI=1S/C4H4N4/c5-4-7-8-3-1-2-6-8/h1-3,7H
InChIKeyRVIPOLXTSXBSSY-UHFFFAOYSA-N
MW108.10 g/mol
LogP-0.09
Rot. Bonds1

About pyrazol-1-ylcyanamide

pyrazol-1-ylcyanamide (PubChem CID 22178161) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is pyrazol-1-ylcyanamide.

Molecular Properties

Compound Namepyrazol-1-ylcyanamide
PubChem CID22178161
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Namepyrazol-1-ylcyanamide
SMILESN#CNn1cccn1
InChIInChI=1S/C4H4N4/c5-4-7-8-3-1-2-6-8/h1-3,7H
InChIKeyRVIPOLXTSXBSSY-UHFFFAOYSA-N
XLogP-0.09
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze pyrazol-1-ylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrazol-1-ylcyanamide?
The IUPAC name of pyrazol-1-ylcyanamide (CID 22178161) is pyrazol-1-ylcyanamide.
What is the SMILES notation for pyrazol-1-ylcyanamide?
The canonical SMILES for pyrazol-1-ylcyanamide is N#CNn1cccn1.
What is the InChIKey of pyrazol-1-ylcyanamide?
The InChIKey is RVIPOLXTSXBSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4/c5-4-7-8-3-1-2-6-8/h1-3,7H.
What are the key properties of pyrazol-1-ylcyanamide?
pyrazol-1-ylcyanamide has a molecular weight of 108.10 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-ylcyanamide is sourced from PubChem (CID 22178161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).