4-(azidomethyl)-1H-pyrazole

C4H5N5 — CID 121212022

IUPAC4-(azidomethyl)-1H-pyrazole
SMILES[N-]=[N+]=NCc1cn[nH]c1
InChIInChI=1S/C4H5N5/c5-9-8-3-4-1-6-7-2-4/h1-2H,3H2,(H,6,7)
InChIKeyYROPPWUPPQMFFJ-UHFFFAOYSA-N
MW123.12 g/mol
LogP1.22
Rot. Bonds2

About 4-(azidomethyl)-1H-pyrazole

4-(azidomethyl)-1H-pyrazole (PubChem CID 121212022) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 4-(azidomethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(azidomethyl)-1H-pyrazole
PubChem CID121212022
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name4-(azidomethyl)-1H-pyrazole
SMILES[N-]=[N+]=NCc1cn[nH]c1
InChIInChI=1S/C4H5N5/c5-9-8-3-4-1-6-7-2-4/h1-2H,3H2,(H,6,7)
InChIKeyYROPPWUPPQMFFJ-UHFFFAOYSA-N
XLogP1.22
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1H-pyrazole?
The IUPAC name of 4-(azidomethyl)-1H-pyrazole (CID 121212022) is 4-(azidomethyl)-1H-pyrazole.
What is the SMILES notation for 4-(azidomethyl)-1H-pyrazole?
The canonical SMILES for 4-(azidomethyl)-1H-pyrazole is [N-]=[N+]=NCc1cn[nH]c1.
What is the InChIKey of 4-(azidomethyl)-1H-pyrazole?
The InChIKey is YROPPWUPPQMFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c5-9-8-3-4-1-6-7-2-4/h1-2H,3H2,(H,6,7).
What are the key properties of 4-(azidomethyl)-1H-pyrazole?
4-(azidomethyl)-1H-pyrazole has a molecular weight of 123.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1H-pyrazole is sourced from PubChem (CID 121212022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).